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

Systemtic Name: 4-methylsulfanyl-2-[[4-[(5-oxidanylidenepyrrolidin-2-yl)methoxysulfonylamino]-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-[(5-oxopyrrolidin-2-yl)methoxysulfonylamino]-2-phenyl-benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[(5-oxo-2-pyrrolidinyl)methoxysulfonylamino]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-[(5-oxopyrrolidin-2-yl)methoxysulfonylamino]-2-phenylbenzoyl]amino]butanoic acid Traditional Name: 2-[[4-[(5-ketopyrrolidin-2-yl)methoxysulfonylamino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C23H27N3O7S2 MolecularWeight: 521.60638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NS(=O)(=O)OCC2CCC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NS(=O)(=O)OCC2CCC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O7S2/c1-34-12-11-20(23(29)30)25-22(28)18-9-7-16(13-19(18)15-5-3-2-4-6-15)26-35(31,32)33-14-17-8-10-21(27)24-17/h2-7,9,13,17,20,26H,8,10-12,14H2,1H3,(H,24,27)(H,25,28)(H,29,30)