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

Systemtic Name: (4-nitrophenyl)methyl 2-ethyl-2-[2-[(4-nitrophenyl)methoxycarbonylamino]pyrrolidin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-ethyl-2-[2-[(4-nitrophenyl)methoxycarbonylamino]pyrrolidine-1-carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-ethyl-4-mercapto-2-[[2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-ethyl-2-[2-[(4-nitrophenyl)methoxycarbonylamino]pyrrolidine-1-carbonyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-ethyl-4-mercapto-2-[2-[(4-nitrobenzyl)oxycarbonylamino]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C27H31N5O9S MolecularWeight: 601.62814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)C(=O)N3CCCC3NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)C(=O)N3CCCC3NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H31N5O9S/c1-2-27(14-22(42)15-30(27)26(35)41-17-19-7-11-21(12-8-19)32(38)39)24(33)29-13-3-4-23(29)28-25(34)40-16-18-5-9-20(10-6-18)31(36)37/h5-12,22-23,42H,2-4,13-17H2,1H3,(H,28,34)