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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 13:26:59 UTC

Update Date

2021-09-26 23:08:08 UTC

HMDB ID

HMDB0254253

Secondary Accession Numbers

None

Metabolite Identification

Common Name

N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid

Description

N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid, also known as 2-{[5-(2-{4-hydroxy-2-imino-1H,2H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidin-6-yl}ethyl)thiophen-2-yl]formamido}pentanedioate, belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). N-[(5-{2-[(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}-2-thienyl)carbonyl]-l-glutamic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309112115272D          

 31 33  0  0  0  0            999 V2000
   -8.6485   -4.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1334   -3.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9539   -3.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2894   -4.5131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8045   -5.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9840   -5.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4991   -5.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6786   -5.6755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8346   -6.5154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6551   -6.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1400   -5.9342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9907   -7.3554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7978   -2.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9773   -2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6418   -2.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0543   -1.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5022   -0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7486   -1.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8348   -1.9081    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0341   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0341    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3196   -1.0876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6052   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8907   -1.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1762   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4617   -1.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7473   -0.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4617   -1.9126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6052    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8907    0.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3196    0.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5 11  1  0  0  0  0
 10 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END

HMDB0254253
     RDKit          3D
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL...
 54 56  0  0  0  0  0  0  0  0999 V2000
    9.0730    0.9342    0.4120 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7231    1.0939    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7721    1.1485    0.9886 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4752    1.3017    0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1412    1.4011   -0.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1231    1.3443   -1.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7645    1.4402   -2.8563 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3956    1.1911   -1.2595 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7097    1.5669   -1.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8079    0.7347   -0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1017   -0.6942   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3111   -1.6821    0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8438   -1.5405    0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018   -2.1344   -0.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2906   -1.7970   -0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6785   -0.8786    0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0218   -0.3355    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402    0.5090    1.4234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0862   -0.7938   -0.2696 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4685   -0.2900   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3448   -1.4319    0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7502   -1.0217    0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9508   -0.0256    1.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0536    0.4203    2.3256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2847    0.4140    1.7633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8488    0.3826   -1.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0581    0.4233   -2.2919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0690    1.0001   -1.4904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949   -0.5206    1.0782 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0665    1.1179    1.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4420    1.3695    1.6106 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4645   -0.0284    0.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7126    1.7285    0.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1585    1.1462   -2.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5795    1.2115   -2.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4149    2.6284   -0.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7653    1.0271   -0.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.8420   -1.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1751   -0.8748   -0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6155   -2.7076    0.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5732   -1.6461    1.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4123   -2.8712   -1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0623   -2.2229   -1.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9821   -1.4991   -1.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4349    0.4549    0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3206   -2.2569   -0.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9528   -1.8227    1.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2188   -0.6406   -0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3398   -1.9696    0.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4718    1.2232    2.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4013    1.3661   -2.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795    2.0337    1.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7096    0.2939    1.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7084    1.6208    2.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 20 26  1  0
 26 27  2  0
 26 28  1  0
 16 29  1  0
 10 30  1  0
 30 31  1  0
  8  2  1  0
 29 13  1  0
 31  4  1  0
  1 32  1  0
  1 33  1  0
  8 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 11 38  1  0
 11 39  1  0
 12 40  1  0
 12 41  1  0
 14 42  1  0
 15 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  0
 21 47  1  0
 22 48  1  0
 22 49  1  0
 25 50  1  0
 28 51  1  0
 30 52  1  0
 30 53  1  0
 31 54  1  0
M  END


  Mrv1652309112115272D          

 31 33  0  0  0  0            999 V2000
   -8.6485   -4.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1334   -3.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9539   -3.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2894   -4.5131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8045   -5.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9840   -5.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4991   -5.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6786   -5.6755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8346   -6.5154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6551   -6.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1400   -5.9342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9907   -7.3554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7978   -2.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9773   -2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6418   -2.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0543   -1.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5022   -0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7486   -1.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8348   -1.9081    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0341   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0341    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3196   -1.0876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6052   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8907   -1.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1762   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4617   -1.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7473   -0.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4617   -1.9126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6052    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8907    0.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3196    0.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5 11  1  0  0  0  0
 10 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0254253

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC2=C(CC(CCC3=CC=C(S3)C(=O)NC(CCC(O)=O)C(O)=O)CN2)C(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C19H23N5O6S/c20-19-23-15-11(16(27)24-19)7-9(8-21-15)1-2-10-3-5-13(31-10)17(28)22-12(18(29)30)4-6-14(25)26/h3,5,9,12H,1-2,4,6-8H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)

> <INCHI_KEY>
GQCXGHHHNACOGE-UHFFFAOYSA-N

> <FORMULA>
C19H23N5O6S

> <MOLECULAR_WEIGHT>
449.48

> <EXACT_MASS>
449.136904655

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
45.79129419714404

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-{[5-(2-{2-amino-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-6-yl}ethyl)thiophen-2-yl]formamido}pentanedioic acid

> <ALOGPS_LOGP>
-0.22

> <JCHEM_LOGP>
0.7136526290000001

> <ALOGPS_LOGS>
-4.04

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.400530669054541

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6670722963617175

> <JCHEM_PKA_STRONGEST_BASIC>
0.9950229172421846

> <JCHEM_POLAR_SURFACE_AREA>
183.20999999999998

> <JCHEM_REFRACTIVITY>
119.02619999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.10e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{[5-(2-{2-amino-4-oxo-3H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-6-yl}ethyl)thiophen-2-yl]formamido}pentanedioic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0254253
     RDKit          3D
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL...
 54 56  0  0  0  0  0  0  0  0999 V2000
    9.0730    0.9342    0.4120 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7231    1.0939    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7721    1.1485    0.9886 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4752    1.3017    0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1412    1.4011   -0.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1231    1.3443   -1.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7645    1.4402   -2.8563 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3956    1.1911   -1.2595 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7097    1.5669   -1.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8079    0.7347   -0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1017   -0.6942   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3111   -1.6821    0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8438   -1.5405    0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018   -2.1344   -0.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2906   -1.7970   -0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6785   -0.8786    0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0218   -0.3355    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402    0.5090    1.4234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0862   -0.7938   -0.2696 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4685   -0.2900   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3448   -1.4319    0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7502   -1.0217    0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9508   -0.0256    1.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0536    0.4203    2.3256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2847    0.4140    1.7633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8488    0.3826   -1.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0581    0.4233   -2.2919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0690    1.0001   -1.4904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949   -0.5206    1.0782 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0665    1.1179    1.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4420    1.3695    1.6106 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4645   -0.0284    0.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7126    1.7285    0.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1585    1.1462   -2.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5795    1.2115   -2.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4149    2.6284   -0.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7653    1.0271   -0.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.8420   -1.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1751   -0.8748   -0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6155   -2.7076    0.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5732   -1.6461    1.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4123   -2.8712   -1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0623   -2.2229   -1.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9821   -1.4991   -1.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4349    0.4549    0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3206   -2.2569   -0.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9528   -1.8227    1.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2188   -0.6406   -0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3398   -1.9696    0.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4718    1.2232    2.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4013    1.3661   -2.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795    2.0337    1.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7096    0.2939    1.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7084    1.6208    2.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 20 26  1  0
 26 27  2  0
 26 28  1  0
 16 29  1  0
 10 30  1  0
 30 31  1  0
  8  2  1  0
 29 13  1  0
 31  4  1  0
  1 32  1  0
  1 33  1  0
  8 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 11 38  1  0
 11 39  1  0
 12 40  1  0
 12 41  1  0
 14 42  1  0
 15 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  0
 21 47  1  0
 22 48  1  0
 22 49  1  0
 25 50  1  0
 28 51  1  0
 30 52  1  0
 30 53  1  0
 31 54  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0     -16.144  -8.103   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -17.049  -6.857   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -18.581  -7.018   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0     -19.207  -8.425   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0     -18.302  -9.670   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -16.770  -9.509   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -15.865 -10.755   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0     -14.333 -10.594   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0     -16.491 -12.162   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0     -18.023 -12.323   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0     -18.928 -11.077   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0     -18.649 -13.730   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0     -16.423  -5.450   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -14.891  -5.289   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -14.265  -3.882   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -15.035  -2.548   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -14.004  -1.404   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -12.597  -2.030   0.000  0.00  0.00           C+0
HETATM   19  S   UNK     0     -12.758  -3.562   0.000  0.00  0.00           S+0
HETATM   20  C   UNK     0     -11.264  -1.260   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0     -11.264   0.280   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0      -9.930  -2.030   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      -8.596  -1.260   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -7.263  -2.030   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -5.929  -1.260   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.595  -2.030   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -3.262  -1.260   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -4.595  -3.570   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -8.596   0.280   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -7.263   1.050   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -9.930   1.050   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   13                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   11                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10    5                                                       
CONECT   12   10                                                            
CONECT   13    2   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18   15                                                       
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   29                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   23   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END

COMPND    HMDB0254253
HETATM    1  N1  UNL     1       9.073   0.934   0.412  1.00  0.00           N  
HETATM    2  C1  UNL     1       7.723   1.094   0.043  1.00  0.00           C  
HETATM    3  N2  UNL     1       6.772   1.149   0.989  1.00  0.00           N  
HETATM    4  C2  UNL     1       5.475   1.302   0.648  1.00  0.00           C  
HETATM    5  C3  UNL     1       5.141   1.401  -0.679  1.00  0.00           C  
HETATM    6  C4  UNL     1       6.123   1.344  -1.652  1.00  0.00           C  
HETATM    7  O1  UNL     1       5.764   1.440  -2.856  1.00  0.00           O  
HETATM    8  N3  UNL     1       7.396   1.191  -1.260  1.00  0.00           N  
HETATM    9  C5  UNL     1       3.710   1.567  -1.028  1.00  0.00           C  
HETATM   10  C6  UNL     1       2.808   0.735  -0.100  1.00  0.00           C  
HETATM   11  C7  UNL     1       3.102  -0.694  -0.394  1.00  0.00           C  
HETATM   12  C8  UNL     1       2.311  -1.682   0.407  1.00  0.00           C  
HETATM   13  C9  UNL     1       0.844  -1.540   0.198  1.00  0.00           C  
HETATM   14  C10 UNL     1       0.002  -2.134  -0.697  1.00  0.00           C  
HETATM   15  C11 UNL     1      -1.291  -1.797  -0.657  1.00  0.00           C  
HETATM   16  C12 UNL     1      -1.678  -0.879   0.280  1.00  0.00           C  
HETATM   17  C13 UNL     1      -3.022  -0.335   0.531  1.00  0.00           C  
HETATM   18  O2  UNL     1      -3.240   0.509   1.423  1.00  0.00           O  
HETATM   19  N4  UNL     1      -4.086  -0.794  -0.270  1.00  0.00           N  
HETATM   20  C14 UNL     1      -5.469  -0.290  -0.078  1.00  0.00           C  
HETATM   21  C15 UNL     1      -6.345  -1.432   0.318  1.00  0.00           C  
HETATM   22  C16 UNL     1      -7.750  -1.022   0.534  1.00  0.00           C  
HETATM   23  C17 UNL     1      -7.951  -0.026   1.602  1.00  0.00           C  
HETATM   24  O3  UNL     1      -7.054   0.420   2.326  1.00  0.00           O  
HETATM   25  O4  UNL     1      -9.285   0.414   1.763  1.00  0.00           O  
HETATM   26  C18 UNL     1      -5.849   0.383  -1.318  1.00  0.00           C  
HETATM   27  O5  UNL     1      -5.058   0.423  -2.292  1.00  0.00           O  
HETATM   28  O6  UNL     1      -7.069   1.000  -1.490  1.00  0.00           O  
HETATM   29  S1  UNL     1      -0.195  -0.521   1.078  1.00  0.00           S  
HETATM   30  C19 UNL     1       3.067   1.118   1.338  1.00  0.00           C  
HETATM   31  N5  UNL     1       4.442   1.369   1.611  1.00  0.00           N  
HETATM   32  H1  UNL     1       9.464  -0.028   0.456  1.00  0.00           H  
HETATM   33  H2  UNL     1       9.713   1.728   0.645  1.00  0.00           H  
HETATM   34  H3  UNL     1       8.158   1.146  -2.002  1.00  0.00           H  
HETATM   35  H4  UNL     1       3.579   1.211  -2.071  1.00  0.00           H  
HETATM   36  H5  UNL     1       3.415   2.628  -0.999  1.00  0.00           H  
HETATM   37  H6  UNL     1       1.765   1.027  -0.334  1.00  0.00           H  
HETATM   38  H7  UNL     1       3.004  -0.842  -1.489  1.00  0.00           H  
HETATM   39  H8  UNL     1       4.175  -0.875  -0.159  1.00  0.00           H  
HETATM   40  H9  UNL     1       2.615  -2.708   0.043  1.00  0.00           H  
HETATM   41  H10 UNL     1       2.573  -1.646   1.456  1.00  0.00           H  
HETATM   42  H11 UNL     1       0.412  -2.871  -1.421  1.00  0.00           H  
HETATM   43  H12 UNL     1      -2.062  -2.223  -1.343  1.00  0.00           H  
HETATM   44  H13 UNL     1      -3.982  -1.499  -1.030  1.00  0.00           H  
HETATM   45  H14 UNL     1      -5.435   0.455   0.737  1.00  0.00           H  
HETATM   46  H15 UNL     1      -6.321  -2.257  -0.435  1.00  0.00           H  
HETATM   47  H16 UNL     1      -5.953  -1.823   1.289  1.00  0.00           H  
HETATM   48  H17 UNL     1      -8.219  -0.641  -0.398  1.00  0.00           H  
HETATM   49  H18 UNL     1      -8.340  -1.970   0.770  1.00  0.00           H  
HETATM   50  H19 UNL     1      -9.472   1.223   2.326  1.00  0.00           H  
HETATM   51  H20 UNL     1      -7.401   1.366  -2.354  1.00  0.00           H  
HETATM   52  H21 UNL     1       2.480   2.034   1.625  1.00  0.00           H  
HETATM   53  H22 UNL     1       2.710   0.294   1.977  1.00  0.00           H  
HETATM   54  H23 UNL     1       4.708   1.621   2.590  1.00  0.00           H  
CONECT    1    2   32   33
CONECT    2    3    3    8
CONECT    3    4
CONECT    4    5    5   31
CONECT    5    6    9
CONECT    6    7    7    8
CONECT    8   34
CONECT    9   10   35   36
CONECT   10   11   30   37
CONECT   11   12   38   39
CONECT   12   13   40   41
CONECT   13   14   14   29
CONECT   14   15   42
CONECT   15   16   16   43
CONECT   16   17   29
CONECT   17   18   18   19
CONECT   19   20   44
CONECT   20   21   26   45
CONECT   21   22   46   47
CONECT   22   23   48   49
CONECT   23   24   24   25
CONECT   25   50
CONECT   26   27   27   28
CONECT   28   51
CONECT   30   31   52   53
CONECT   31   54
END

HMDB0254253
     RDKit          3D
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL...
 54 56  0  0  0  0  0  0  0  0999 V2000
    9.0730    0.9342    0.4120 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7231    1.0939    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7721    1.1485    0.9886 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4752    1.3017    0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1412    1.4011   -0.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1231    1.3443   -1.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7645    1.4402   -2.8563 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3956    1.1911   -1.2595 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7097    1.5669   -1.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8079    0.7347   -0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1017   -0.6942   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3111   -1.6821    0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8438   -1.5405    0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018   -2.1344   -0.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2906   -1.7970   -0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6785   -0.8786    0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0218   -0.3355    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402    0.5090    1.4234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0862   -0.7938   -0.2696 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4685   -0.2900   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3448   -1.4319    0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7502   -1.0217    0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9508   -0.0256    1.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0536    0.4203    2.3256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2847    0.4140    1.7633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8488    0.3826   -1.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0581    0.4233   -2.2919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0690    1.0001   -1.4904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949   -0.5206    1.0782 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0665    1.1179    1.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4420    1.3695    1.6106 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4645   -0.0284    0.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7126    1.7285    0.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1585    1.1462   -2.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5795    1.2115   -2.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4149    2.6284   -0.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7653    1.0271   -0.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.8420   -1.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1751   -0.8748   -0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6155   -2.7076    0.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5732   -1.6461    1.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4123   -2.8712   -1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0623   -2.2229   -1.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9821   -1.4991   -1.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4349    0.4549    0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3206   -2.2569   -0.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9528   -1.8227    1.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2188   -0.6406   -0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3398   -1.9696    0.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4718    1.2232    2.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4013    1.3661   -2.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795    2.0337    1.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7096    0.2939    1.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7084    1.6208    2.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 20 26  1  0
 26 27  2  0
 26 28  1  0
 16 29  1  0
 10 30  1  0
 30 31  1  0
  8  2  1  0
 29 13  1  0
 31  4  1  0
  1 32  1  0
  1 33  1  0
  8 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 11 38  1  0
 11 39  1  0
 12 40  1  0
 12 41  1  0
 14 42  1  0
 15 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  0
 21 47  1  0
 22 48  1  0
 22 49  1  0
 25 50  1  0
 28 51  1  0
 30 52  1  0
 30 53  1  0
 31 54  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
N-[(5-{2-[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-yl]ethyl}-2-thienyl)carbonyl]-L-glutamate	Generator
2-{[5-(2-{4-hydroxy-2-imino-1H,2H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidin-6-yl}ethyl)thiophen-2-yl]formamido}pentanedioate	HMDB

Chemical Formula

C₁₉H₂₃N₅O₆S

Average Molecular Weight

449.48

Monoisotopic Molecular Weight

449.136904655

IUPAC Name

2-{[5-(2-{2-amino-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-6-yl}ethyl)thiophen-2-yl]formamido}pentanedioic acid

Traditional Name

2-{[5-(2-{2-amino-4-oxo-3H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-6-yl}ethyl)thiophen-2-yl]formamido}pentanedioic acid

CAS Registry Number

Not Available

SMILES

NC1=NC2=C(CC(CCC3=CC=C(S3)C(=O)NC(CCC(O)=O)C(O)=O)CN2)C(=O)N1

InChI Identifier

InChI=1S/C19H23N5O6S/c20-19-23-15-11(16(27)24-19)7-9(8-21-15)1-2-10-3-5-13(31-10)17(28)22-12(18(29)30)4-6-14(25)26/h3,5,9,12H,1-2,4,6-8H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)

InChI Key

GQCXGHHHNACOGE-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Glutamic acid and derivatives

Alternative Parents

Substituents

Glutamic acid or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Pyridopyrimidine
2-heteroaryl carboxamide
Thiophene carboxamide
Thiophene carboxylic acid or derivatives
Aminopyrimidine
Pyrimidone
2,5-disubstituted thiophene
Dicarboxylic acid or derivatives
Pyridine
Pyrimidine
Heteroaromatic compound
Vinylogous amide
Thiophene
Amino acid
Carboxamide group
Secondary carboxylic acid amide
Organoheterocyclic compound
Azacycle
Carboxylic acid
Amine
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Organic oxide
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-0.22	ALOGPS
logP	0.71	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	3.67	ChemAxon
pKa (Strongest Basic)	1	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	183.21 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	119.03 m³·mol⁻¹	ChemAxon
Polarizability	45.79 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	197.075	30932474
DeepCCS	[M-H]-	194.717	30932474
DeepCCS	[M-2H]-	228.737	30932474
DeepCCS	[M+Na]+	204.678	30932474

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Predicted by Siyang on May 30, 2022	11.0744 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	7.55 minutes	32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	1014.8 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	193.1 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	107.1 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	162.7 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	86.4 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	316.7 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	393.4 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	568.2 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	723.3 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	394.2 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	1174.0 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	226.4 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	247.8 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	444.9 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	228.7 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	276.7 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid	NC1=NC2=C(CC(CCC3=CC=C(S3)C(=O)NC(CCC(O)=O)C(O)=O)CN2)C(=O)N1	5628.7	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid	NC1=NC2=C(CC(CCC3=CC=C(S3)C(=O)NC(CCC(O)=O)C(O)=O)CN2)C(=O)N1	3903.5	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid	NC1=NC2=C(CC(CCC3=CC=C(S3)C(=O)NC(CCC(O)=O)C(O)=O)CN2)C(=O)N1	4761.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)S3)CN2)C(=O)[NH]1	4188.8	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)S3)CN2)C(=O)[NH]1	3889.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)S3)CN2)C(=O)[NH]1	6180.1	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N)=N3)S1)[Si](C)(C)C	4210.3	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N)=N3)S1)[Si](C)(C)C	3874.5	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N)=N3)S1)[Si](C)(C)C	6174.9	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #11	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)C(=O)O	4139.3	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #11	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)C(=O)O	3959.5	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #11	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)C(=O)O	6137.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1	4238.9	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1	3984.2	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1	5979.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	4339.6	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	3919.7	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	6065.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2)C(=O)[NH]1	4230.1	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2)C(=O)[NH]1	3913.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2)C(=O)[NH]1	6153.3	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #15	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	4088.7	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #15	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	3978.0	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #15	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	5848.7	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	3972.0	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	3927.9	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	5847.3	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #17	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N)=N3)S1)[Si](C)(C)C	4240.3	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #17	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N)=N3)S1)[Si](C)(C)C	3838.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #17	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N)=N3)S1)[Si](C)(C)C	6103.8	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #18	C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1	4152.2	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #18	C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1	3910.0	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #18	C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1	6033.7	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #19	C[Si](C)(C)N(C1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S3)CN2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	4417.6	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #19	C[Si](C)(C)N(C1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S3)CN2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	4076.4	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #19	C[Si](C)(C)N(C1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S3)CN2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	6045.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N)=N3)S1)[Si](C)(C)C	4112.7	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N)=N3)S1)[Si](C)(C)C	3825.3	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N)=N3)S1)[Si](C)(C)C	6013.7	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #20	C[Si](C)(C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(CCC(=O)O)C(=O)O	4242.4	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #20	C[Si](C)(C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(CCC(=O)O)C(=O)O	4053.5	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #20	C[Si](C)(C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(CCC(=O)O)C(=O)O	6017.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #21	C[Si](C)(C)N1CC(CCC2=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S2)CC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O	4149.1	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #21	C[Si](C)(C)N1CC(CCC2=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S2)CC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O	4120.3	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #21	C[Si](C)(C)N1CC(CCC2=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S2)CC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O	5787.3	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #22	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	4359.6	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #22	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	3986.0	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #22	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	6095.1	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #23	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4282.8	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #23	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4062.3	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #23	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	5872.1	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #24	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	4118.8	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #24	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	4060.3	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #24	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	5874.6	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #25	C[Si](C)(C)N1CC(CCC2=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S2)CC2=C1N=C(N)N([Si](C)(C)C)C2=O	4164.6	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #25	C[Si](C)(C)N1CC(CCC2=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S2)CC2=C1N=C(N)N([Si](C)(C)C)C2=O	3974.3	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #25	C[Si](C)(C)N1CC(CCC2=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S2)CC2=C1N=C(N)N([Si](C)(C)C)C2=O	6033.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)S1)C(=O)O[Si](C)(C)C	3926.2	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)S1)C(=O)O[Si](C)(C)C	3897.0	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)S1)C(=O)O[Si](C)(C)C	5931.3	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N)=N3)S1)C(=O)O[Si](C)(C)C	4213.4	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N)=N3)S1)C(=O)O[Si](C)(C)C	3815.7	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N)=N3)S1)C(=O)O[Si](C)(C)C	6181.6	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(=O)O	4238.0	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(=O)O	4035.4	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(=O)O	6082.5	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)S3)CN2)C(=O)N1[Si](C)(C)C	4337.2	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)S3)CN2)C(=O)N1[Si](C)(C)C	3975.5	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)S3)CN2)C(=O)N1[Si](C)(C)C	6168.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)S3)CN2)C(=O)[NH]1	4195.5	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)S3)CN2)C(=O)[NH]1	3958.5	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)S3)CN2)C(=O)[NH]1	6220.3	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #8	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)S3)CN2[Si](C)(C)C)C(=O)[NH]1	4086.9	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #8	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)S3)CN2[Si](C)(C)C)C(=O)[NH]1	4032.4	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #8	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)S3)CN2[Si](C)(C)C)C(=O)[NH]1	5943.4	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	3932.4	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	3966.9	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	5915.0	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(=O)O[Si](C)(C)C	4158.9	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(=O)O[Si](C)(C)C	3967.9	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(=O)O[Si](C)(C)C	5578.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(=O)O	4284.6	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(=O)O	4053.8	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(=O)O	5605.6	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	4224.7	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	3951.1	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	5706.9	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #12	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4158.6	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #12	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4028.7	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #12	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	5522.1	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	4015.7	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	4024.4	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	5520.3	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	4046.9	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	3951.9	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	5775.4	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	4168.5	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	3997.0	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	5555.5	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #16	C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1	4058.0	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #16	C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1	4067.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #16	C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1	5338.0	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1	4274.8	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1	4010.7	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1	5516.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #18	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	4255.5	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #18	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	3923.5	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #18	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	5653.6	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #19	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4160.6	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #19	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	3983.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #19	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	5439.8	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	4220.7	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	3897.5	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	5676.7	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #20	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	4045.5	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #20	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	3992.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #20	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	5469.9	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #21	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	4089.5	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #21	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	3922.3	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #21	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	5714.0	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #22	C[Si](C)(C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(CCC(=O)O)C(=O)O	4290.7	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #22	C[Si](C)(C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(CCC(=O)O)C(=O)O	4069.7	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #22	C[Si](C)(C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(CCC(=O)O)C(=O)O	5547.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #23	C[Si](C)(C)N1CC(CCC2=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S2)CC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O	4264.5	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #23	C[Si](C)(C)N1CC(CCC2=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S2)CC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O	4145.9	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #23	C[Si](C)(C)N1CC(CCC2=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S2)CC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O	5410.3	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #24	C[Si](C)(C)N1CC(CCC2=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S2)CC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O	4075.3	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #24	C[Si](C)(C)N1CC(CCC2=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S2)CC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O	4139.9	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #24	C[Si](C)(C)N1CC(CCC2=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S2)CC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O	5365.8	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #25	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4202.8	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #25	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4051.0	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #25	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	5457.6	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2)C(=O)[NH]1	4125.7	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2)C(=O)[NH]1	3897.3	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2)C(=O)[NH]1	5747.7	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	4009.4	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	3953.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	5478.8	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	3875.3	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	3912.1	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	5598.6	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N)=N3)S1)[Si](C)(C)C	4134.7	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N)=N3)S1)[Si](C)(C)C	3820.7	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N)=N3)S1)[Si](C)(C)C	5821.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)C(=O)O[Si](C)(C)C	4041.0	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)C(=O)O[Si](C)(C)C	3896.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)C(=O)O[Si](C)(C)C	5794.3	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #8	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	4140.3	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #8	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	4026.3	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #8	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	5611.1	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1)C(=O)O	4057.7	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1)C(=O)O	4113.0	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1)C(=O)O	5422.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	4117.7	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	3988.3	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	5184.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #10	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)C(=O)O	4170.5	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #10	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)C(=O)O	4126.0	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #10	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)C(=O)O	5089.4	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4109.1	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4013.3	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	5149.6	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	4022.0	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	4094.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	5007.3	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	4223.5	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	4019.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	5151.6	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #14	C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1	4174.5	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #14	C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1	4089.7	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #14	C[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1	5023.9	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #15	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4141.7	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #15	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	3989.5	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #15	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	5106.3	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #16	C[Si](C)(C)N1CC(CCC2=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S2)CC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O	4210.6	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #16	C[Si](C)(C)N1CC(CCC2=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S2)CC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O	4150.5	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #16	C[Si](C)(C)N1CC(CCC2=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)S2)CC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O	5062.6	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1)C(=O)O[Si](C)(C)C	4010.7	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1)C(=O)O[Si](C)(C)C	4053.4	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1)C(=O)O[Si](C)(C)C	4996.9	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(=O)O[Si](C)(C)C	4203.8	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(=O)O[Si](C)(C)C	3992.4	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)C(=O)O[Si](C)(C)C	5145.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	4169.5	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	3907.2	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C	5285.7	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4098.1	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	3956.2	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	5096.4	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	3969.3	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	3970.3	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)[NH]1	5114.5	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #7	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	4017.9	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #7	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	3906.0	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #7	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	5499.5	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #8	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	3994.1	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #8	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	4119.8	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #8	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	5051.4	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	4202.5	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	4040.3	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,5TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	5197.0	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	3984.2	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	4077.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	4652.3	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	4175.8	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	3999.2	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N3)S1)[Si](C)(C)C	4798.1	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)C(=O)O[Si](C)(C)C	4124.3	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)C(=O)O[Si](C)(C)C	4070.5	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)C(=O)O[Si](C)(C)C	4690.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4081.1	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	3958.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)S3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4775.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	4128.0	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	4126.1	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	4748.6	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	4155.8	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	4104.9	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,6TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)S1)[Si](C)(C)C	4710.8	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)S3)CN2)C(=O)[NH]1	4755.1	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)S3)CN2)C(=O)[NH]1	4480.7	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)S3)CN2)C(=O)[NH]1	5948.9	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N3)S1)[Si](C)(C)C(C)(C)C	4857.2	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N3)S1)[Si](C)(C)C(C)(C)C	4392.8	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N3)S1)[Si](C)(C)C(C)(C)C	5918.9	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)N([Si](C)(C)C(C)(C)C)C2)S1)C(=O)O	4811.2	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)N([Si](C)(C)C(C)(C)C)C2)S1)C(=O)O	4492.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)N([Si](C)(C)C(C)(C)C)C2)S1)C(=O)O	5939.5	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)S1	4823.7	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)S1	4533.4	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)S1	5768.1	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	4932.4	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	4495.7	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	5821.1	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)S3)CN2)C(=O)[NH]1	4831.5	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)S3)CN2)C(=O)[NH]1	4486.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)S3)CN2)C(=O)[NH]1	5937.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)S3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	4676.6	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)S3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	4545.1	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)S3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	5733.9	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)S1)[Si](C)(C)C(C)(C)C	4608.1	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)S1)[Si](C)(C)C(C)(C)C	4455.5	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)S1)[Si](C)(C)C(C)(C)C	5745.7	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N3)S1)[Si](C)(C)C(C)(C)C	4870.2	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N3)S1)[Si](C)(C)C(C)(C)C	4380.1	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N3)S1)[Si](C)(C)C(C)(C)C	5875.8	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)N([Si](C)(C)C(C)(C)C)C2)S1	4805.5	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)N([Si](C)(C)C(C)(C)C)C2)S1	4444.3	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)N([Si](C)(C)C(C)(C)C)C2)S1	5869.4	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N(C1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4985.9	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N(C1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4590.5	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N(C1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5779.9	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N)=N3)S1)[Si](C)(C)C(C)(C)C	4720.9	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N)=N3)S1)[Si](C)(C)C(C)(C)C	4372.5	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N)=N3)S1)[Si](C)(C)C(C)(C)C	5814.2	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)S1)C(CCC(=O)O)C(=O)O	4859.5	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)S1)C(CCC(=O)O)C(=O)O	4567.8	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)S1)C(CCC(=O)O)C(=O)O	5785.5	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N1CC(CCC2=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S2)CC2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O	4750.0	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N1CC(CCC2=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S2)CC2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O	4626.4	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N1CC(CCC2=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S2)CC2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O	5656.5	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	4981.3	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	4518.7	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)S3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	5841.6	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S3)CN2[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	4904.2	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S3)CN2[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	4581.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)S3)CN2[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	5711.6	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)S3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	4733.6	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)S3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	4584.3	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)S3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	5757.1	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N1CC(CCC2=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)S2)CC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O	4837.0	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N1CC(CCC2=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)S2)CC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O	4472.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N1CC(CCC2=CC=C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)S2)CC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O	5873.3	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)S1)C(=O)O[Si](C)(C)C(C)(C)C	4548.1	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)S1)C(=O)O[Si](C)(C)C(C)(C)C	4448.8	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)S1)C(=O)O[Si](C)(C)C(C)(C)C	5795.5	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N3)S1)C(=O)O[Si](C)(C)C(C)(C)C	4817.3	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N3)S1)C(=O)O[Si](C)(C)C(C)(C)C	4375.1	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N3)S1)C(=O)O[Si](C)(C)C(C)(C)C	5924.1	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)S1)C(=O)O	4831.9	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)S1)C(=O)O	4570.8	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CCC(NC(=O)C1=CC=C(CCC2CNC3=C(C2)C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)S1)C(=O)O	5836.4	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)S3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	4924.7	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)S3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	4535.0	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)S3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	5887.5	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)S3)CN2)C(=O)[NH]1	4809.8	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)S3)CN2)C(=O)[NH]1	4506.2	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)N(C(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)S3)CN2)C(=O)[NH]1	5974.5	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)S3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	4677.2	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)S3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	4586.6	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=C(CC(CCC3=CC=C(C(=O)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)S3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	5799.6	Standard polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)S1)[Si](C)(C)C(C)(C)C	4598.3	Semi standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)S1)[Si](C)(C)C(C)(C)C	4474.9	Standard non polar	33892256
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(CCC2CC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)S1)[Si](C)(C)C(C)(C)C	5788.9	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ugi-4796800000-dba9ead9a051787a1ed1	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

11578098

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14720258

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid (HMDB0254253)

MOL for HMDB0254253 (N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid)

3D MOL for HMDB0254253 (N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid)

3D SDF for HMDB0254253 (N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid)

3D-SDF for HMDB0254253 (N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid)

PDB for HMDB0254253 (N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid)

3D PDB for HMDB0254253 (N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid)

SMILES for HMDB0254253 (N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid)

INCHI for HMDB0254253 (N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid)

Structure for HMDB0254253 (N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid)

3D Structure for HMDB0254253 (N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

NMR Spectra