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

Systemtic Name: 4-methylsulfanyl-2-[[4-[[(5-oxidanylidenepyrrolidin-2-yl)methoxycarbothioylamino]methyl]-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-[[(5-oxopyrrolidin-2-yl)methoxycarbothioylamino]methyl]-2-phenyl-benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[[[(5-oxo-2-pyrrolidinyl)methoxy-sulfanylidenemethyl]amino]methyl]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-[[(5-oxopyrrolidin-2-yl)methoxycarbothioylamino]methyl]-2-phenylbenzoyl]amino]butanoic acid Traditional Name: 2-[[4-[[(5-ketopyrrolidin-2-yl)methoxycarbothioylamino]methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C25H29N3O5S2 MolecularWeight: 515.64486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5S2/c1-35-12-11-21(24(31)32)28-23(30)19-9-7-16(13-20(19)17-5-3-2-4-6-17)14-26-25(34)33-15-18-8-10-22(29)27-18/h2-7,9,13,18,21H,8,10-12,14-15H2,1H3,(H,26,34)(H,27,29)(H,28,30)(H,31,32)