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

Systemtic Name: 4-methoxycarbonyl-2-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 4-methoxycarbonyl-2-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanyl-ethyl)pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 2-[[[4-(2-mercapto-2-oxoethyl)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methoxycarbonylbenzoic acid IUPAC Name: 4-methoxycarbonyl-2-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanylethyl)pyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 4-carbomethoxy-2-[[4-(2-keto-2-mercapto-ethyl)-1-(4-nitrobenzyl)oxycarbonyl-prolyl]amino]benzoic acid Formula: C24H23N3O10S MolecularWeight: 545.51852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O10S/c1-36-23(32)15-4-7-17(22(30)31)18(10-15)25-21(29)19-8-14(9-20(28)38)11-26(19)24(33)37-12-13-2-5-16(6-3-13)27(34)35/h2-7,10,14,19H,8-9,11-12H2,1H3,(H,25,29)(H,28,38)(H,30,31)