3-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylamino]naphthalene-2-carboxylic acid

Systemtic Name: 3-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylamino]naphthalene-2-carboxylic acid Openeye Name: 3-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanyl-ethyl)pyrrolidine-2-carbonyl]amino]naphthalene-2-carboxylic acid CAS Name: 3-[[[4-(2-mercapto-2-oxoethyl)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-2-naphthalenecarboxylic acid IUPAC Name: 3-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanylethyl)pyrrolidine-2-carbonyl]amino]naphthalene-2-carboxylic acid Traditional Name: 3-[[4-(2-keto-2-mercapto-ethyl)-1-(4-nitrobenzyl)oxycarbonyl-prolyl]amino]-2-naphthoic acid Formula: C26H23N3O8S MolecularWeight: 537.54112

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC2=CC3=CC=CC=C3C=C2C(=O)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CC(=O)S

Isomeric SMILES

C1C(CN(C1C(=O)NC2=CC3=CC=CC=C3C=C2C(=O)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CC(=O)S

InChI

InChI=1S/C26H23N3O8S/c30-23(38)10-16-9-22(28(13-16)26(34)37-14-15-5-7-19(8-6-15)29(35)36)24(31)27-21-12-18-4-2-1-3-17(18)11-20(21)25(32)33/h1-8,11-12,16,22H,9-10,13-14H2,(H,27,31)(H,30,38)(H,32,33)