4-methylsulfanyl-2-[[2-phenyl-4-[(4-sulfanylpyrrolidin-2-yl)carbonylamino]phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-[(4-sulfanylpyrrolidin-2-yl)carbonylamino]phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-[(4-sulfanylpyrrolidine-2-carbonyl)amino]benzoyl]amino]butanoic acid CAS Name: 2-[[[4-[[(4-mercapto-2-pyrrolidinyl)-oxomethyl]amino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-[(4-sulfanylpyrrolidine-2-carbonyl)amino]benzoyl]amino]butanoic acid Traditional Name: 2-[[4-[(4-mercaptoprolyl)amino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2CC(CN2)S)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2CC(CN2)S)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4S2/c1-32-10-9-19(23(29)30)26-21(27)17-8-7-15(11-18(17)14-5-3-2-4-6-14)25-22(28)20-12-16(31)13-24-20/h2-8,11,16,19-20,24,31H,9-10,12-13H2,1H3,(H,25,28)(H,26,27)(H,29,30)