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

Systemtic Name: 4-methylsulfanyl-2-[[4-[[[(5-oxidanylidenepyrrolidin-2-yl)amino]methylsulfonylamino]methyl]-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-[[[(5-oxopyrrolidin-2-yl)amino]methylsulfonylamino]methyl]-2-phenyl-benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[[[(5-oxo-2-pyrrolidinyl)amino]methylsulfonylamino]methyl]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-[[[(5-oxopyrrolidin-2-yl)amino]methylsulfonylamino]methyl]-2-phenylbenzoyl]amino]butanoic acid Traditional Name: 2-[[4-[[[(5-ketopyrrolidin-2-yl)amino]methylsulfonylamino]methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C24H30N4O6S2 MolecularWeight: 534.6482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O6S2/c1-35-12-11-20(24(31)32)27-23(30)18-8-7-16(13-19(18)17-5-3-2-4-6-17)14-26-36(33,34)15-25-21-9-10-22(29)28-21/h2-8,13,20-21,25-26H,9-12,14-15H2,1H3,(H,27,30)(H,28,29)(H,31,32)