(4-nitrophenyl)methyl 2-ethyl-2-[[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-ethyl-2-[[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-ethyl-2-[[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-ethyl-4-mercapto-2-[[[1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-ethyl-2-[[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]carbamoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-ethyl-4-mercapto-2-[[1-(4-nitrobenzyl)oxycarbonylpyrrolidin-3-yl]carbamoyl]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)NC3CCN(C3)C(=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)NC3CCN(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H31N5O9S/c1-2-27(13-23(42)15-30(27)26(35)41-17-19-5-9-22(10-6-19)32(38)39)24(33)28-20-11-12-29(14-20)25(34)40-16-18-3-7-21(8-4-18)31(36)37/h3-10,20,23,42H,2,11-17H2,1H3,(H,28,33)