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

Systemtic Name: 4-methylsulfanyl-2-[[4-[(5-oxidanylidenepyrrolidin-2-yl)methylsulfamoylmethyl]-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-[(5-oxopyrrolidin-2-yl)methylsulfamoylmethyl]-2-phenyl-benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[(5-oxo-2-pyrrolidinyl)methylsulfamoylmethyl]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-[(5-oxopyrrolidin-2-yl)methylsulfamoylmethyl]-2-phenylbenzoyl]amino]butanoic acid Traditional Name: 2-[[4-[(5-ketopyrrolidin-2-yl)methylsulfamoylmethyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C24H29N3O6S2 MolecularWeight: 519.63356

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CS(=O)(=O)NCC2CCC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CS(=O)(=O)NCC2CCC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O6S2/c1-34-12-11-21(24(30)31)27-23(29)19-9-7-16(13-20(19)17-5-3-2-4-6-17)15-35(32,33)25-14-18-8-10-22(28)26-18/h2-7,9,13,18,21,25H,8,10-12,14-15H2,1H3,(H,26,28)(H,27,29)(H,30,31)