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

Systemtic Name: 4-methylsulfanyl-2-[[4-[[(5-oxidanylidenepyrrolidin-2-yl)amino]methylsulfinylamino]-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-[[(5-oxopyrrolidin-2-yl)amino]methylsulfinylamino]-2-phenyl-benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[[(5-oxo-2-pyrrolidinyl)amino]methylsulfinylamino]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-[[(5-oxopyrrolidin-2-yl)amino]methylsulfinylamino]-2-phenylbenzoyl]amino]butanoic acid Traditional Name: 2-[[4-[[(5-ketopyrrolidin-2-yl)amino]methylsulfinylamino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C23H28N4O5S2 MolecularWeight: 504.62222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5S2/c1-33-12-11-19(23(30)31)25-22(29)17-8-7-16(13-18(17)15-5-3-2-4-6-15)27-34(32)14-24-20-9-10-21(28)26-20/h2-8,13,19-20,24,27H,9-12,14H2,1H3,(H,25,29)(H,26,28)(H,30,31)