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

Systemtic Name: 2-acetamido-5-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 2-acetamido-5-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanyl-ethyl)pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 2-acetamido-5-[[[4-(2-mercapto-2-oxoethyl)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-acetamido-5-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanylethyl)pyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 2-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=C(C=C(C=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=C(C=C(C=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)25-19-7-4-16(10-18(19)23(32)33)26-22(31)20-8-15(9-21(30)38)11-27(20)24(34)37-12-14-2-5-17(6-3-14)28(35)36/h2-7,10,15,20H,8-9,11-12H2,1H3,(H,25,29)(H,26,31)(H,30,38)(H,32,33)