methyl (2S)-2-[[3-methyl-5-[methyl-[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonyl-amino]pentoxy]-(3-phenylpropanoyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[3-methyl-5-[methyl-[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonyl-amino]pentoxy]-(3-phenylpropanoyl)amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[3-methyl-5-[methyl-[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentoxy]-(3-phenylpropanoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-methyl-5-[methyl-[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]pentoxy]-(1-oxo-3-phenylpropyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-methyl-5-[methyl-[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentoxy]-(3-phenylpropanoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[hydrocinnamoyl-[5-[[(2S)-5-ketoprolyl]-methyl-amino]-3-methyl-pentoxy]amino]-4-(methylthio)butyric acid methyl ester Formula: C27H41N3O6S MolecularWeight: 535.69594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN(C)C(=O)C1CCC(=O)N1)CCON(C(CCSC)C(=O)OC)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(CCN(C)C(=O)[C@@H]1CCC(=O)N1)CCON([C@@H](CCSC)C(=O)OC)C(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C27H41N3O6S/c1-20(14-17-29(2)26(33)22-11-12-24(31)28-22)15-18-36-30(23(16-19-37-4)27(34)35-3)25(32)13-10-21-8-6-5-7-9-21/h5-9,20,22-23H,10-19H2,1-4H3,(H,28,31)/t20?,22-,23-/m0/s1