(4-nitrophenyl)methyl 2-[3-methyl-1-[(4-nitrophenyl)methoxycarbonylamino]pyrrolidin-1-ium-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[3-methyl-1-[(4-nitrophenyl)methoxycarbonylamino]pyrrolidin-1-ium-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[3-methyl-1-[(4-nitrophenyl)methoxycarbonylamino]pyrrolidin-1-ium-1-carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[[3-methyl-1-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-pyrrolidin-1-iumyl]-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-methyl-1-[(4-nitrophenyl)methoxycarbonylamino]pyrrolidin-1-ium-1-carbonyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[3-methyl-1-[(4-nitrobenzyl)oxycarbonylamino]pyrrolidin-1-ium-1-carbonyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C26H30N5O9S+ MolecularWeight: 588.6095

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](C1)(C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CC[N+](C1)(C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O9S/c1-17-10-11-31(14-17,27-25(33)39-15-18-2-6-20(7-3-18)29(35)36)24(32)23-12-22(41)13-28(23)26(34)40-16-19-4-8-21(9-5-19)30(37)38/h2-9,17,22-23H,10-16H2,1H3,(H-,27,33,41)/p+1