Hmdb loader
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
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
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 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