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

Systemtic Name: 2-[[4-azanyl-3-(5-oxidanylidenepyrrolidin-2-yl)carbonyl-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-amino-3-(5-oxopyrrolidine-2-carbonyl)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-amino-3-[oxo-(5-oxo-2-pyrrolidinyl)methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-amino-3-(5-oxopyrrolidine-2-carbonyl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(4-amino-2-phenyl-3-pyroglutamoyl-benzoyl)amino]-4-(methylthio)butyric acid Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S/c1-32-12-11-17(23(30)31)26-22(29)14-7-8-15(24)20(19(14)13-5-3-2-4-6-13)21(28)16-9-10-18(27)25-16/h2-8,16-17H,9-12,24H2,1H3,(H,25,27)(H,26,29)(H,30,31)