4-methylsulfanyl-2-[[4-[2-[(5-oxidanylidenepyrrolidin-2-yl)amino]ethanoyloxy]-2-phenyl-phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[4-[2-[(5-oxidanylidenepyrrolidin-2-yl)amino]ethanoyloxy]-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-[2-[(5-oxopyrrolidin-2-yl)amino]acetyl]oxy-2-phenyl-benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[1-oxo-2-[(5-oxo-2-pyrrolidinyl)amino]ethoxy]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-[2-[(5-oxopyrrolidin-2-yl)amino]acetyl]oxy-2-phenylbenzoyl]amino]butanoic acid Traditional Name: 2-[[4-[2-[(5-ketopyrrolidin-2-yl)amino]acetyl]oxy-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)OC(=O)CNC2CCC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)OC(=O)CNC2CCC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O6S/c1-34-12-11-19(24(31)32)26-23(30)17-8-7-16(13-18(17)15-5-3-2-4-6-15)33-22(29)14-25-20-9-10-21(28)27-20/h2-8,13,19-20,25H,9-12,14H2,1H3,(H,26,30)(H,27,28)(H,31,32)