Hmdb loader

Showing metabocard for Morphiceptin (HMDB0005777)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-12-19 21:07:26 UTC
Update Date2021-09-14 15:37:14 UTC
HMDB IDHMDB0005777
Secondary Accession Numbers
  • HMDB05777
Metabolite Identification
Common NameMorphiceptin
DescriptionMorphiceptin belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Morphiceptin has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make morphiceptin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Morphiceptin.
Structure
Data?1582752364
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0005777 (Morphiceptin)


  Mrv0541 02231220292D          

 38 41  0  0  1  0            999 V2000
   15.5719   -7.9268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2688   -5.5482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3863   -4.4306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4544  -13.9944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8834   -9.0444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8711   -5.2511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5281   -6.8650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8834  -10.6944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6718   -3.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9695   -8.2239    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.7767   -8.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1690   -9.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 38  2  0  0  0  0
 37 38  1  0  0  0  0
M  END
Download

3D MOL for HMDB0005777 (Morphiceptin)

HMDB0005777
     RDKit          3D
Morphiceptin
 73 76  0  0  0  0  0  0  0  0999 V2000
   -5.8613    0.0226   -2.7418 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6467   -1.3061   -3.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1731   -1.6639   -4.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8179   -2.2163   -2.3598 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6479   -3.3860   -1.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4191   -3.5078   -0.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1089   -2.0812   -0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3546   -1.5569   -1.1443 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3326   -0.5829   -1.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 71  1  0
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 38 73  1  0
M  END
Download

3D SDF for HMDB0005777 (Morphiceptin)


  Mrv0541 02231220292D          

 38 41  0  0  1  0            999 V2000
   15.5719   -7.9268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2688   -5.5482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4544   -9.0444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3863   -4.4306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4544  -13.9944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8834   -9.0444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8711   -5.2511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5281   -6.8650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8834  -10.6944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6718   -3.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9695   -8.2239    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.7767   -8.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1891   -8.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6371   -9.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3565   -7.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1690   -9.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4544  -11.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3235   -7.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8818   -6.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1690  -11.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7400  -11.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1081   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6665   -5.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1690  -12.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7400  -12.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4544  -13.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 14  1  0  0  0  0
  6 22  1  0  0  0  0
  7 15  1  0  0  0  0
  7 17  1  0  0  0  0
  7 21  1  0  0  0  0
 19  8  1  6  0  0  0
  8 20  1  0  0  0  0
 24  9  1  1  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  1  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 19 21  1  0  0  0  0
 19 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 26  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 28 31  2  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  2  0  0  0  0
 31 36  1  0  0  0  0
 32 37  2  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
 36 38  2  0  0  0  0
 37 38  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0005777

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1

> <INCHI_KEY>
LSQXZIUREIDSHZ-ZJZGAYNASA-N

> <FORMULA>
C28H35N5O5

> <MOLECULAR_WEIGHT>
521.608

> <EXACT_MASS>
521.263819255

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
54.86066443229055

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide

> <ALOGPS_LOGP>
0.94

> <JCHEM_LOGP>
0.41964737798170865

> <ALOGPS_LOGS>
-3.87

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.543343463314418

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.510704425615884

> <JCHEM_PKA_STRONGEST_BASIC>
7.719939586035956

> <JCHEM_POLAR_SURFACE_AREA>
159.06

> <JCHEM_REFRACTIVITY>
140.8088

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.10e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0005777 (Morphiceptin)

HMDB0005777
     RDKit          3D
Morphiceptin
 73 76  0  0  0  0  0  0  0  0999 V2000
   -5.8613    0.0226   -2.7418 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6467   -1.3061   -3.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1731   -1.6639   -4.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8179   -2.2163   -2.3598 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6479   -3.3860   -1.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4191   -3.5078   -0.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1089   -2.0812   -0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3546   -1.5569   -1.1443 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3326   -0.5829   -1.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7888   -0.2558   -2.1753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8620    0.0666    0.1782 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0069    0.8531    0.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6052    1.5441    2.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0850    2.8202    1.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7016    3.4762    3.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8398    2.8481    4.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3527    1.5882    4.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7278    0.9537    3.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7427    0.9520   -0.1420 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4219    0.7265    0.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2808   -0.2872    1.0607 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6132    1.6267   -0.0054 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5777    2.2416   -1.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8681    3.0802   -1.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6406    2.5489   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0078    1.2159    0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6449   -0.0077    0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879   -1.0181    0.0735 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0253   -0.4242    0.2083 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2088   -1.8466   -0.1319 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1383    0.3583   -0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3990   -0.4491   -0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9488   -1.2977   -0.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0898   -2.0435   -0.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6901   -1.9283    0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8373   -2.6573    0.8599 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1355   -1.0632    1.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9872   -0.3210    1.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2194    0.7725   -3.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6544    0.2186   -2.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9280   -2.5802   -2.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2963   -4.3106   -2.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7462   -3.2313   -2.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5700   -4.1659   -0.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3724   -3.8341    0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0916   -1.5541    0.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5532   -2.1566    0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5243   -0.7063    0.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4261    1.5828    0.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8432    0.1877    1.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9722    3.3265    1.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2894    4.4727    3.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5306    3.3875    5.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4468    1.1240    5.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1261   -0.0369    3.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9209    1.7690   -0.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6077    2.5555    0.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3028    2.8674   -1.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6811    1.4638   -2.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6614    4.1435   -1.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4895    2.8314   -2.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2937    3.0962    0.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6908    2.5484   -0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2363   -0.4590    1.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0803   -2.1489    0.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3337   -1.9028   -1.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3640    1.3019    0.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0846    0.4767   -1.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5139   -1.4157   -1.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4924   -2.7035   -1.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2189   -3.2753    0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6383   -1.0034    2.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6039    0.3364    1.9356 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 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
 11 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  2  0
  8  4  1  0
 18 13  1  0
 26 22  1  0
 38 32  1  0
  1 39  1  0
  1 40  1  0
  4 41  1  6
  5 42  1  0
  5 43  1  0
  6 44  1  0
  6 45  1  0
  7 46  1  0
  7 47  1  0
 11 48  1  1
 12 49  1  0
 12 50  1  0
 14 51  1  0
 15 52  1  0
 16 53  1  0
 17 54  1  0
 18 55  1  0
 19 56  1  0
 22 57  1  1
 23 58  1  0
 23 59  1  0
 24 60  1  0
 24 61  1  0
 25 62  1  0
 25 63  1  0
 29 64  1  1
 30 65  1  0
 30 66  1  0
 31 67  1  0
 31 68  1  0
 33 69  1  0
 34 70  1  0
 36 71  1  0
 37 72  1  0
 38 73  1  0
M  END
Download

PDB for HMDB0005777 (Morphiceptin)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      29.068 -14.797   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      34.102 -10.357   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      28.848 -16.883   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      34.321  -8.270   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      28.848 -26.123   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0      31.516 -16.883   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0      31.493  -9.802   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      30.853 -12.815   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      31.516 -19.963   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      32.987  -5.961   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      31.676 -15.351   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      33.183 -15.031   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      33.953 -16.365   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      32.922 -17.509   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      31.654  -8.270   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      30.247  -7.644   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      29.986 -10.122   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      29.216  -8.788   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      32.317 -12.339   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      30.532 -14.321   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      32.637 -10.832   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      30.182 -17.653   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      33.461 -13.369   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      30.182 -19.193   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      32.987  -7.500   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      28.848 -19.963   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      34.926 -12.893   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      28.848 -21.503   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      36.071 -13.924   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      35.246 -11.387   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      30.182 -22.273   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      27.515 -22.273   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      37.535 -13.448   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      36.711 -10.911   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      37.855 -11.942   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      30.182 -23.813   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      27.515 -23.813   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      28.848 -24.583   0.000  0.00  0.00           C+0
CONECT    1   20                                                            
CONECT    2   21                                                            
CONECT    3   22                                                            
CONECT    4   25                                                            
CONECT    5   38                                                            
CONECT    6   11   14   22                                                  
CONECT    7   15   17   21                                                  
CONECT    8   19   20                                                       
CONECT    9   24                                                            
CONECT   10   25                                                            
CONECT   11    6   12   20                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14    6   13                                                       
CONECT   15    7   16   25                                                  
CONECT   16   15   18                                                       
CONECT   17    7   18                                                       
CONECT   18   16   17                                                       
CONECT   19    8   21   23                                                  
CONECT   20    1    8   11                                                  
CONECT   21    2    7   19                                                  
CONECT   22    3    6   24                                                  
CONECT   23   19   27                                                       
CONECT   24    9   22   26                                                  
CONECT   25    4   10   15                                                  
CONECT   26   24   28                                                       
CONECT   27   23   29   30                                                  
CONECT   28   26   31   32                                                  
CONECT   29   27   33                                                       
CONECT   30   27   34                                                       
CONECT   31   28   36                                                       
CONECT   32   28   37                                                       
CONECT   33   29   35                                                       
CONECT   34   30   35                                                       
CONECT   35   33   34                                                       
CONECT   36   31   38                                                       
CONECT   37   32   38                                                       
CONECT   38    5   36   37                                                  
MASTER        0    0    0    0    0    0    0    0   38    0   82    0
END
Download

3D PDB for HMDB0005777 (Morphiceptin)

COMPND    HMDB0005777
HETATM    1  N1  UNL     1      -5.861   0.023  -2.742  1.00  0.00           N  
HETATM    2  C1  UNL     1      -5.647  -1.306  -3.180  1.00  0.00           C  
HETATM    3  O1  UNL     1      -6.173  -1.664  -4.260  1.00  0.00           O  
HETATM    4  C2  UNL     1      -4.818  -2.216  -2.360  1.00  0.00           C  
HETATM    5  C3  UNL     1      -5.648  -3.386  -1.932  1.00  0.00           C  
HETATM    6  C4  UNL     1      -5.419  -3.508  -0.459  1.00  0.00           C  
HETATM    7  C5  UNL     1      -5.109  -2.081  -0.039  1.00  0.00           C  
HETATM    8  N2  UNL     1      -4.355  -1.557  -1.144  1.00  0.00           N  
HETATM    9  C6  UNL     1      -3.333  -0.583  -1.074  1.00  0.00           C  
HETATM   10  O2  UNL     1      -2.789  -0.256  -2.175  1.00  0.00           O  
HETATM   11  C7  UNL     1      -2.862   0.067   0.178  1.00  0.00           C  
HETATM   12  C8  UNL     1      -4.007   0.853   0.761  1.00  0.00           C  
HETATM   13  C9  UNL     1      -3.605   1.544   2.019  1.00  0.00           C  
HETATM   14  C10 UNL     1      -3.085   2.820   1.980  1.00  0.00           C  
HETATM   15  C11 UNL     1      -2.702   3.476   3.153  1.00  0.00           C  
HETATM   16  C12 UNL     1      -2.840   2.848   4.379  1.00  0.00           C  
HETATM   17  C13 UNL     1      -3.353   1.588   4.422  1.00  0.00           C  
HETATM   18  C14 UNL     1      -3.728   0.954   3.254  1.00  0.00           C  
HETATM   19  N3  UNL     1      -1.743   0.952  -0.142  1.00  0.00           N  
HETATM   20  C15 UNL     1      -0.422   0.726   0.342  1.00  0.00           C  
HETATM   21  O3  UNL     1      -0.281  -0.287   1.061  1.00  0.00           O  
HETATM   22  C16 UNL     1       0.613   1.627  -0.005  1.00  0.00           C  
HETATM   23  C17 UNL     1       0.578   2.242  -1.405  1.00  0.00           C  
HETATM   24  C18 UNL     1       1.868   3.080  -1.346  1.00  0.00           C  
HETATM   25  C19 UNL     1       2.641   2.549  -0.117  1.00  0.00           C  
HETATM   26  N4  UNL     1       2.008   1.216   0.002  1.00  0.00           N  
HETATM   27  C20 UNL     1       2.645  -0.008   0.094  1.00  0.00           C  
HETATM   28  O4  UNL     1       1.788  -1.018   0.074  1.00  0.00           O  
HETATM   29  C21 UNL     1       4.025  -0.424   0.208  1.00  0.00           C  
HETATM   30  N5  UNL     1       4.209  -1.847  -0.132  1.00  0.00           N  
HETATM   31  C22 UNL     1       5.138   0.358  -0.334  1.00  0.00           C  
HETATM   32  C23 UNL     1       6.399  -0.449  -0.065  1.00  0.00           C  
HETATM   33  C24 UNL     1       6.949  -1.298  -0.973  1.00  0.00           C  
HETATM   34  C25 UNL     1       8.090  -2.043  -0.695  1.00  0.00           C  
HETATM   35  C26 UNL     1       8.690  -1.928   0.532  1.00  0.00           C  
HETATM   36  O5  UNL     1       9.837  -2.657   0.860  1.00  0.00           O  
HETATM   37  C27 UNL     1       8.136  -1.063   1.467  1.00  0.00           C  
HETATM   38  C28 UNL     1       6.987  -0.321   1.169  1.00  0.00           C  
HETATM   39  H1  UNL     1      -5.219   0.773  -3.061  1.00  0.00           H  
HETATM   40  H2  UNL     1      -6.654   0.219  -2.108  1.00  0.00           H  
HETATM   41  H3  UNL     1      -3.928  -2.580  -2.920  1.00  0.00           H  
HETATM   42  H4  UNL     1      -5.296  -4.311  -2.443  1.00  0.00           H  
HETATM   43  H5  UNL     1      -6.746  -3.231  -2.113  1.00  0.00           H  
HETATM   44  H6  UNL     1      -4.570  -4.166  -0.229  1.00  0.00           H  
HETATM   45  H7  UNL     1      -6.372  -3.834   0.026  1.00  0.00           H  
HETATM   46  H8  UNL     1      -6.092  -1.554   0.069  1.00  0.00           H  
HETATM   47  H9  UNL     1      -4.553  -2.157   0.910  1.00  0.00           H  
HETATM   48  H10 UNL     1      -2.524  -0.706   0.897  1.00  0.00           H  
HETATM   49  H11 UNL     1      -4.426   1.583   0.036  1.00  0.00           H  
HETATM   50  H12 UNL     1      -4.843   0.188   1.039  1.00  0.00           H  
HETATM   51  H13 UNL     1      -2.972   3.326   1.049  1.00  0.00           H  
HETATM   52  H14 UNL     1      -2.289   4.473   3.157  1.00  0.00           H  
HETATM   53  H15 UNL     1      -2.531   3.388   5.287  1.00  0.00           H  
HETATM   54  H16 UNL     1      -3.447   1.124   5.404  1.00  0.00           H  
HETATM   55  H17 UNL     1      -4.126  -0.037   3.321  1.00  0.00           H  
HETATM   56  H18 UNL     1      -1.921   1.769  -0.743  1.00  0.00           H  
HETATM   57  H19 UNL     1       0.608   2.555   0.672  1.00  0.00           H  
HETATM   58  H20 UNL     1      -0.303   2.867  -1.558  1.00  0.00           H  
HETATM   59  H21 UNL     1       0.681   1.464  -2.176  1.00  0.00           H  
HETATM   60  H22 UNL     1       1.661   4.144  -1.195  1.00  0.00           H  
HETATM   61  H23 UNL     1       2.489   2.831  -2.221  1.00  0.00           H  
HETATM   62  H24 UNL     1       2.294   3.096   0.786  1.00  0.00           H  
HETATM   63  H25 UNL     1       3.691   2.548  -0.294  1.00  0.00           H  
HETATM   64  H26 UNL     1       4.236  -0.459   1.354  1.00  0.00           H  
HETATM   65  H27 UNL     1       5.080  -2.149   0.338  1.00  0.00           H  
HETATM   66  H28 UNL     1       4.334  -1.903  -1.155  1.00  0.00           H  
HETATM   67  H29 UNL     1       5.364   1.302   0.233  1.00  0.00           H  
HETATM   68  H30 UNL     1       5.085   0.477  -1.413  1.00  0.00           H  
HETATM   69  H31 UNL     1       6.514  -1.416  -1.946  1.00  0.00           H  
HETATM   70  H32 UNL     1       8.492  -2.703  -1.446  1.00  0.00           H  
HETATM   71  H33 UNL     1      10.219  -3.275   0.161  1.00  0.00           H  
HETATM   72  H34 UNL     1       8.638  -1.003   2.422  1.00  0.00           H  
HETATM   73  H35 UNL     1       6.604   0.336   1.936  1.00  0.00           H  
CONECT    1    2   39   40
CONECT    2    3    3    4
CONECT    4    5    8   41
CONECT    5    6   42   43
CONECT    6    7   44   45
CONECT    7    8   46   47
CONECT    8    9
CONECT    9   10   10   11
CONECT   11   12   19   48
CONECT   12   13   49   50
CONECT   13   14   14   18
CONECT   14   15   51
CONECT   15   16   16   52
CONECT   16   17   53
CONECT   17   18   18   54
CONECT   18   55
CONECT   19   20   56
CONECT   20   21   21   22
CONECT   22   23   26   57
CONECT   23   24   58   59
CONECT   24   25   60   61
CONECT   25   26   62   63
CONECT   26   27
CONECT   27   28   28   29
CONECT   29   30   31   64
CONECT   30   65   66
CONECT   31   32   67   68
CONECT   32   33   33   38
CONECT   33   34   69
CONECT   34   35   35   70
CONECT   35   36   37
CONECT   36   71
CONECT   37   38   38   72
CONECT   38   73
END
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SMILES for HMDB0005777 (Morphiceptin)

N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O
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INCHI for HMDB0005777 (Morphiceptin)

InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
b-Casomorphin-4-amideHMDB
beta-Casomorphin-4-amideHMDB
beta-Casomorphin-4-NH2HMDB
beta-Casomorphine(1-4) amideHMDB
DeproceptinHMDB
H-Tyr-pro-phe-pro-NH2HMDB
L-Tyrosyl-L-prolyl-L-phenylalanyl-L-prolinamideHMDB
NH(4)-Tyr-pro-phe-pro-CONH(2)HMDB
Tyr-pro-phe-D-pro-NH2HMDB
Tyr-pro-phe-delta-pro-NH2HMDB
TYR-pro-phe-pro amideHMDB
Tyr-pro-phe-pro-NH2HMDB
Tyrosyl-prolyl-phenylalanyl-D-prolinamideHMDB
Tyrosyl-prolyl-phenylalanyl-delta-prolinamideHMDB
Morphiceptin monohydrochloride, (L-tyr-L-pro-L-phe-L-pro)-isomerMeSH, HMDB
Morphiceptin, (L-tyr-L-pro-L-phe-D-pro)-isomerMeSH, HMDB
Morphiceptin, (L-tyr-D-pro-L-phe-L-pro)-isomerMeSH, HMDB
(2S)-1-[(2S)-2-({[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-phenylpropanoyl]pyrrolidine-2-carboximidateGenerator, HMDB
MorphiceptinMeSH
Chemical FormulaC28H35N5O5
Average Molecular Weight521.608
Monoisotopic Molecular Weight521.263819255
IUPAC Name(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
Traditional Name(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
CAS Registry Number74135-04-9
SMILES
N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O
InChI Identifier
InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1
InChI KeyLSQXZIUREIDSHZ-ZJZGAYNASA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentOligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Proline or derivatives
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • N-acylpyrrolidine
  • Pyrrolidine carboxylic acid or derivatives
  • Pyrrolidine-2-carboxamide
  • 1-hydroxy-2-unsubstituted benzenoid
  • Aralkylamine
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Tertiary carboxylic acid amide
  • Pyrrolidine
  • Amino acid or derivatives
  • Carboxamide group
  • Primary carboxylic acid amide
  • Secondary carboxylic acid amide
  • Azacycle
  • Organoheterocyclic compound
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Organic oxygen compound
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Amine
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.071 g/LALOGPS
logP0.94ALOGPS
logP0.42ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)9.51ChemAxon
pKa (Strongest Basic)7.72ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area159.06 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity140.81 m³·mol⁻¹ChemAxon
Polarizability54.86 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+217.26231661259
DarkChem[M-H]-209.80131661259
DeepCCS[M+H]+216.59130932474
DeepCCS[M-H]-214.58630932474
DeepCCS[M-2H]-247.82630932474
DeepCCS[M+Na]+222.41230932474
AllCCS[M+H]+220.532859911
AllCCS[M+H-H2O]+219.132859911
AllCCS[M+NH4]+221.832859911
AllCCS[M+Na]+222.132859911
AllCCS[M-H]-209.832859911
AllCCS[M+Na-2H]-211.432859911
AllCCS[M+HCOO]-213.332859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.3.26 minutes32390414
Predicted by Siyang on May 30, 202211.1847 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20225.03 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid198.7 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1698.1 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid175.1 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid190.0 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid176.0 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid141.3 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid336.2 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid370.1 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)988.5 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid903.0 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid410.1 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1136.5 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid269.1 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid298.5 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate354.3 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA638.1 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water38.3 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
MorphiceptinN[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O4358.9Standard polar33892256
MorphiceptinN[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O4162.3Standard non polar33892256
MorphiceptinN[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O4933.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Morphiceptin,1TMS,isomer #1C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)C=C14494.0Semi standard non polar33892256
Morphiceptin,1TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O4561.3Semi standard non polar33892256
Morphiceptin,1TMS,isomer #3C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C14513.8Semi standard non polar33892256
Morphiceptin,1TMS,isomer #4C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O4487.3Semi standard non polar33892256
Morphiceptin,2TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O4459.2Semi standard non polar33892256
Morphiceptin,2TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O3983.1Standard non polar33892256
Morphiceptin,2TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O6562.6Standard polar33892256
Morphiceptin,2TMS,isomer #2C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C14425.2Semi standard non polar33892256
Morphiceptin,2TMS,isomer #2C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C14004.2Standard non polar33892256
Morphiceptin,2TMS,isomer #2C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C16380.1Standard polar33892256
Morphiceptin,2TMS,isomer #3C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)[Si](C)(C)C)C=C14375.1Semi standard non polar33892256
Morphiceptin,2TMS,isomer #3C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)[Si](C)(C)C)C=C13914.9Standard non polar33892256
Morphiceptin,2TMS,isomer #3C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)[Si](C)(C)C)C=C16902.4Standard polar33892256
Morphiceptin,2TMS,isomer #4C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C4462.9Semi standard non polar33892256
Morphiceptin,2TMS,isomer #4C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C4103.1Standard non polar33892256
Morphiceptin,2TMS,isomer #4C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C6309.3Standard polar33892256
Morphiceptin,2TMS,isomer #5C[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C4591.7Semi standard non polar33892256
Morphiceptin,2TMS,isomer #5C[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C4114.3Standard non polar33892256
Morphiceptin,2TMS,isomer #5C[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C6857.6Standard polar33892256
Morphiceptin,2TMS,isomer #6C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C4411.6Semi standard non polar33892256
Morphiceptin,2TMS,isomer #6C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C3993.1Standard non polar33892256
Morphiceptin,2TMS,isomer #6C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C6733.4Standard polar33892256
Morphiceptin,2TMS,isomer #7C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C4488.7Semi standard non polar33892256
Morphiceptin,2TMS,isomer #7C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C4148.3Standard non polar33892256
Morphiceptin,2TMS,isomer #7C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C6573.4Standard polar33892256
Morphiceptin,2TMS,isomer #8C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C4371.2Semi standard non polar33892256
Morphiceptin,2TMS,isomer #8C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C4009.1Standard non polar33892256
Morphiceptin,2TMS,isomer #8C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C6568.1Standard polar33892256
Morphiceptin,3TMS,isomer #1C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C4423.6Semi standard non polar33892256
Morphiceptin,3TMS,isomer #1C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C4056.9Standard non polar33892256
Morphiceptin,3TMS,isomer #1C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C5849.4Standard polar33892256
Morphiceptin,3TMS,isomer #10C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C4393.8Semi standard non polar33892256
Morphiceptin,3TMS,isomer #10C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C4105.0Standard non polar33892256
Morphiceptin,3TMS,isomer #10C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C6215.8Standard polar33892256
Morphiceptin,3TMS,isomer #2C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C=C14505.6Semi standard non polar33892256
Morphiceptin,3TMS,isomer #2C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C=C14064.6Standard non polar33892256
Morphiceptin,3TMS,isomer #2C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C=C16329.9Standard polar33892256
Morphiceptin,3TMS,isomer #3C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C4371.5Semi standard non polar33892256
Morphiceptin,3TMS,isomer #3C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C3958.7Standard non polar33892256
Morphiceptin,3TMS,isomer #3C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C6226.5Standard polar33892256
Morphiceptin,3TMS,isomer #4C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C14414.0Semi standard non polar33892256
Morphiceptin,3TMS,isomer #4C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C14095.6Standard non polar33892256
Morphiceptin,3TMS,isomer #4C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C16060.4Standard polar33892256
Morphiceptin,3TMS,isomer #5C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C4337.4Semi standard non polar33892256
Morphiceptin,3TMS,isomer #5C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C3968.0Standard non polar33892256
Morphiceptin,3TMS,isomer #5C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C6067.1Standard polar33892256
Morphiceptin,3TMS,isomer #6C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C4439.3Semi standard non polar33892256
Morphiceptin,3TMS,isomer #6C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C4189.3Standard non polar33892256
Morphiceptin,3TMS,isomer #6C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C5925.2Standard polar33892256
Morphiceptin,3TMS,isomer #7C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C4360.3Semi standard non polar33892256
Morphiceptin,3TMS,isomer #7C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C4076.9Standard non polar33892256
Morphiceptin,3TMS,isomer #7C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C5888.7Standard polar33892256
Morphiceptin,3TMS,isomer #8C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C4503.4Semi standard non polar33892256
Morphiceptin,3TMS,isomer #8C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C4164.7Standard non polar33892256
Morphiceptin,3TMS,isomer #8C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C6025.7Standard polar33892256
Morphiceptin,3TMS,isomer #9C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O4518.3Semi standard non polar33892256
Morphiceptin,3TMS,isomer #9C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O4090.9Standard non polar33892256
Morphiceptin,3TMS,isomer #9C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O6469.6Standard polar33892256
Morphiceptin,4TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C4420.4Semi standard non polar33892256
Morphiceptin,4TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C4138.3Standard non polar33892256
Morphiceptin,4TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C5500.6Standard polar33892256
Morphiceptin,4TMS,isomer #2C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C4339.2Semi standard non polar33892256
Morphiceptin,4TMS,isomer #2C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C4034.7Standard non polar33892256
Morphiceptin,4TMS,isomer #2C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C5471.0Standard polar33892256
Morphiceptin,4TMS,isomer #3C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C4483.5Semi standard non polar33892256
Morphiceptin,4TMS,isomer #3C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C4125.8Standard non polar33892256
Morphiceptin,4TMS,isomer #3C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C5590.4Standard polar33892256
Morphiceptin,4TMS,isomer #4C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C14514.4Semi standard non polar33892256
Morphiceptin,4TMS,isomer #4C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C14043.9Standard non polar33892256
Morphiceptin,4TMS,isomer #4C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C16009.5Standard polar33892256
Morphiceptin,4TMS,isomer #5C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C14403.4Semi standard non polar33892256
Morphiceptin,4TMS,isomer #5C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C14056.0Standard non polar33892256
Morphiceptin,4TMS,isomer #5C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C15772.6Standard polar33892256
Morphiceptin,4TMS,isomer #6C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4531.5Semi standard non polar33892256
Morphiceptin,4TMS,isomer #6C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4266.5Standard non polar33892256
Morphiceptin,4TMS,isomer #6C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5650.8Standard polar33892256
Morphiceptin,4TMS,isomer #7C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4382.1Semi standard non polar33892256
Morphiceptin,4TMS,isomer #7C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4160.8Standard non polar33892256
Morphiceptin,4TMS,isomer #7C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5520.6Standard polar33892256
Morphiceptin,4TMS,isomer #8C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4474.2Semi standard non polar33892256
Morphiceptin,4TMS,isomer #8C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4160.0Standard non polar33892256
Morphiceptin,4TMS,isomer #8C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5612.2Standard polar33892256
Morphiceptin,5TMS,isomer #1C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C14571.1Semi standard non polar33892256
Morphiceptin,5TMS,isomer #1C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C14216.7Standard non polar33892256
Morphiceptin,5TMS,isomer #1C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C15271.0Standard polar33892256
Morphiceptin,5TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4402.9Semi standard non polar33892256
Morphiceptin,5TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4113.7Standard non polar33892256
Morphiceptin,5TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5148.6Standard polar33892256
Morphiceptin,5TMS,isomer #3C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4493.6Semi standard non polar33892256
Morphiceptin,5TMS,isomer #3C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4101.7Standard non polar33892256
Morphiceptin,5TMS,isomer #3C[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5231.1Standard polar33892256
Morphiceptin,5TMS,isomer #4C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C4561.7Semi standard non polar33892256
Morphiceptin,5TMS,isomer #4C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C4247.0Standard non polar33892256
Morphiceptin,5TMS,isomer #4C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C)[Si](C)(C)C5268.7Standard polar33892256
Morphiceptin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)C=C14766.3Semi standard non polar33892256
Morphiceptin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O4775.6Semi standard non polar33892256
Morphiceptin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C14746.6Semi standard non polar33892256
Morphiceptin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O4710.2Semi standard non polar33892256
Morphiceptin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O4921.5Semi standard non polar33892256
Morphiceptin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O4352.6Standard non polar33892256
Morphiceptin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O6494.5Standard polar33892256
Morphiceptin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C14886.0Semi standard non polar33892256
Morphiceptin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C14347.1Standard non polar33892256
Morphiceptin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C16318.3Standard polar33892256
Morphiceptin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)[Si](C)(C)C(C)(C)C)C=C14867.2Semi standard non polar33892256
Morphiceptin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)[Si](C)(C)C(C)(C)C)C=C14285.8Standard non polar33892256
Morphiceptin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)[Si](C)(C)C(C)(C)C)C=C16793.1Standard polar33892256
Morphiceptin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C4877.7Semi standard non polar33892256
Morphiceptin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C4430.9Standard non polar33892256
Morphiceptin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C6221.5Standard polar33892256
Morphiceptin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C(C)(C)C5009.7Semi standard non polar33892256
Morphiceptin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C(C)(C)C4438.7Standard non polar33892256
Morphiceptin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C(C)(C)C6685.4Standard polar33892256
Morphiceptin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C(C)(C)C4825.4Semi standard non polar33892256
Morphiceptin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C(C)(C)C4362.4Standard non polar33892256
Morphiceptin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C(C)(C)C6592.0Standard polar33892256
Morphiceptin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C4927.4Semi standard non polar33892256
Morphiceptin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C4456.6Standard non polar33892256
Morphiceptin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C6414.3Standard polar33892256
Morphiceptin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C4793.6Semi standard non polar33892256
Morphiceptin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C4353.6Standard non polar33892256
Morphiceptin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C6436.9Standard polar33892256
Morphiceptin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C5022.2Semi standard non polar33892256
Morphiceptin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C4541.3Standard non polar33892256
Morphiceptin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C5856.2Standard polar33892256
Morphiceptin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5013.5Semi standard non polar33892256
Morphiceptin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4569.3Standard non polar33892256
Morphiceptin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C6095.0Standard polar33892256
Morphiceptin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C15198.4Semi standard non polar33892256
Morphiceptin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C14540.6Standard non polar33892256
Morphiceptin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C16236.1Standard polar33892256
Morphiceptin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C(C)(C)C5009.8Semi standard non polar33892256
Morphiceptin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C(C)(C)C4469.2Standard non polar33892256
Morphiceptin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)[Si](C)(C)C(C)(C)C6179.4Standard polar33892256
Morphiceptin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C15093.9Semi standard non polar33892256
Morphiceptin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C14547.6Standard non polar33892256
Morphiceptin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C15995.7Standard polar33892256
Morphiceptin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4973.8Semi standard non polar33892256
Morphiceptin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4449.8Standard non polar33892256
Morphiceptin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C6034.0Standard polar33892256
Morphiceptin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5037.1Semi standard non polar33892256
Morphiceptin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4651.3Standard non polar33892256
Morphiceptin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5861.2Standard polar33892256
Morphiceptin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4912.0Semi standard non polar33892256
Morphiceptin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4561.6Standard non polar33892256
Morphiceptin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5858.8Standard polar33892256
Morphiceptin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5102.8Semi standard non polar33892256
Morphiceptin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4625.7Standard non polar33892256
Morphiceptin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5940.3Standard polar33892256
Morphiceptin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O5121.1Semi standard non polar33892256
Morphiceptin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O4568.8Standard non polar33892256
Morphiceptin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O6312.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Morphiceptin GC-MS (Non-derivatized) - 70eV, Positivesplash10-01s6-9753600000-ab9b4156f82cf11db2dd2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Morphiceptin GC-MS (1 TMS) - 70eV, Positivesplash10-000i-3900100000-0d5e37df3d97c6f3acb82017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphiceptin 10V, Positive-QTOFsplash10-074i-0542190000-8e827c928011293119072017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphiceptin 20V, Positive-QTOFsplash10-00ys-4963010000-52018b30ff885e99fb6c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphiceptin 40V, Positive-QTOFsplash10-00xr-8920000000-0b73fbb79f593bffe8852017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphiceptin 10V, Negative-QTOFsplash10-00di-0010290000-4ddbdfd9117cebc850a22017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphiceptin 20V, Negative-QTOFsplash10-03di-3694440000-48287336031c42fb93e32017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphiceptin 40V, Negative-QTOFsplash10-03dl-7971010000-f46ffb60979f07ab72db2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphiceptin 10V, Negative-QTOFsplash10-00di-0101090000-8f7f16c26f65894d4dc82021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphiceptin 20V, Negative-QTOFsplash10-022c-6455290000-f19ff897b966bf1633c72021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphiceptin 40V, Negative-QTOFsplash10-0006-9311000000-e9517c0cf22b4b3feccb2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphiceptin 10V, Positive-QTOFsplash10-00di-0100090000-1763c7db2e4921a269232021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphiceptin 20V, Positive-QTOFsplash10-060a-3901120000-d82a438c5589dd9e1e5c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Morphiceptin 40V, Positive-QTOFsplash10-00di-9800100000-a1992172d6fb894e93732021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023767
KNApSAcK IDNot Available
Chemspider ID106565
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMorphiceptin
METLIN IDNot Available
PubChem Compound119303
PDB IDNot Available
ChEBI ID422134
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceOta, Toru; Itoh, Aki; Tachi, Hiroshi; Kudoh, Keita; Watanabe, Tatsuo; Yamamoto, Yuji; Tadokoro, Tadahiro; Maekawa, Akio. Synthesis of Morphiceptin (Tyr-Pro-Phe-Pro-NH2) by Dipeptidyl Aminopeptidase IV Derived from Aspergillus oryzae. Journal of Agricultur
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available