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CHEBI:44687 - 4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID

Default Structure
ChEBI IDCHEBI:44687
ChEBI Name4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID
Stars
DownloadsMolfile
FormulaC31H37NO3S
Net Charge0
Average Mass503.708
Monoisotopic Mass503.24942
SMILES[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])Sc1c([H])c([H])c(C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1
InChIKeyBLFSPSZATDQQMK-NDEPHWFRSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID (CHEBI:44687) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACIDPDBeChem
(4S)-5-[(4-benzylphenyl)sulfanyl]-4-[(7-phenylheptanoyl)amino]pentanoic acidPDBeChem
Manual XrefsDatabases
OAPPDBeChem