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

Systemtic Name: 4-methylsulfanyl-2-[[4-[(5-oxidanylidenepyrrolidin-2-yl)methylsulfamoylamino]-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-[(5-oxopyrrolidin-2-yl)methylsulfamoylamino]-2-phenyl-benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[(5-oxo-2-pyrrolidinyl)methylsulfamoylamino]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-[(5-oxopyrrolidin-2-yl)methylsulfamoylamino]-2-phenylbenzoyl]amino]butanoic acid Traditional Name: 2-[[4-[(5-ketopyrrolidin-2-yl)methylsulfamoylamino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C23H28N4O6S2 MolecularWeight: 520.62162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O6S2/c1-34-12-11-20(23(30)31)26-22(29)18-9-7-16(13-19(18)15-5-3-2-4-6-15)27-35(32,33)24-14-17-8-10-21(28)25-17/h2-7,9,13,17,20,24,27H,8,10-12,14H2,1H3,(H,25,28)(H,26,29)(H,30,31)