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

Systemtic Name: 4-methylsulfanyl-2-[[4-[(5-oxidanylidenepyrrolidin-2-yl)methylcarbamothioylamino]-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-[(5-oxopyrrolidin-2-yl)methylcarbamothioylamino]-2-phenyl-benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[[[(5-oxo-2-pyrrolidinyl)methylamino]-sulfanylidenemethyl]amino]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-[(5-oxopyrrolidin-2-yl)methylcarbamothioylamino]-2-phenylbenzoyl]amino]butanoic acid Traditional Name: 2-[[4-[(5-ketopyrrolidin-2-yl)methylthiocarbamoylamino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C24H28N4O4S2 MolecularWeight: 500.63352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S2/c1-34-12-11-20(23(31)32)28-22(30)18-9-7-16(13-19(18)15-5-3-2-4-6-15)27-24(33)25-14-17-8-10-21(29)26-17/h2-7,9,13,17,20H,8,10-12,14H2,1H3,(H,26,29)(H,28,30)(H,31,32)(H2,25,27,33)