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

Systemtic Name: 5-methoxy-2-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 5-methoxy-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]-5-methoxybenzoic acid IUPAC Name: 5-methoxy-2-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanylethyl)pyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 2-[[4-(2-keto-2-mercapto-ethyl)-1-(4-nitrobenzyl)oxycarbonyl-prolyl]amino]-5-methoxy-benzoic acid Formula: C23H23N3O9S MolecularWeight: 517.50842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)S)C(=O)O

Isomeric SMILES

COC1=CC(=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/C23H23N3O9S/c1-34-16-6-7-18(17(10-16)22(29)30)24-21(28)19-8-14(9-20(27)36)11-25(19)23(31)35-12-13-2-4-15(5-3-13)26(32)33/h2-7,10,14,19H,8-9,11-12H2,1H3,(H,24,28)(H,27,36)(H,29,30)