methyl 2-[[4-azanyl-3-(5-oxidanylidenepyrrolidin-2-yl)carbonyl-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-azanyl-3-(5-oxidanylidenepyrrolidin-2-yl)carbonyl-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-amino-3-(5-oxopyrrolidine-2-carbonyl)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-amino-3-[oxo-(5-oxo-2-pyrrolidinyl)methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-amino-3-(5-oxopyrrolidine-2-carbonyl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-amino-2-phenyl-3-pyroglutamoyl-benzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C(=C(C=C1)N)C(=O)C2CCC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C(=C(C=C1)N)C(=O)C2CCC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O5S/c1-32-24(31)18(12-13-33-2)27-23(30)15-8-9-16(25)21(20(15)14-6-4-3-5-7-14)22(29)17-10-11-19(28)26-17/h3-9,17-18H,10-13,25H2,1-2H3,(H,26,28)(H,27,30)