3-acetamido-5-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 3-acetamido-5-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 3-acetamido-5-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanyl-ethyl)pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 3-acetamido-5-[[[4-(2-mercapto-2-oxoethyl)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-acetamido-5-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanylethyl)pyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 3-acetamido-5-[[4-(2-keto-2-mercapto-ethyl)-1-(4-nitrobenzyl)oxycarbonyl-prolyl]amino]benzoic acid Formula: C24H24N4O9S MolecularWeight: 544.53376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)S)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)S)C(=O)O

InChI

InChI=1S/C24H24N4O9S/c1-13(29)25-17-8-16(23(32)33)9-18(10-17)26-22(31)20-6-15(7-21(30)38)11-27(20)24(34)37-12-14-2-4-19(5-3-14)28(35)36/h2-5,8-10,15,20H,6-7,11-12H2,1H3,(H,25,29)(H,26,31)(H,30,38)(H,32,33)