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

Systemtic Name: (4-nitrophenyl)methyl 2-ethyl-2-[3-[[(4-nitrophenyl)methoxycarbonylamino]methyl]pyrrolidin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-ethyl-2-[3-[[(4-nitrophenyl)methoxycarbonylamino]methyl]pyrrolidine-1-carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-ethyl-4-mercapto-2-[[3-[[[(4-nitrophenyl)methoxy-oxomethyl]amino]methyl]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-ethyl-2-[3-[[(4-nitrophenyl)methoxycarbonylamino]methyl]pyrrolidine-1-carbonyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-ethyl-4-mercapto-2-[3-[[(4-nitrobenzyl)oxycarbonylamino]methyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C28H33N5O9S MolecularWeight: 615.65472

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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)N3CCC(C3)CNC(=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)N3CCC(C3)CNC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H33N5O9S/c1-2-28(13-24(43)16-31(28)27(36)42-18-20-5-9-23(10-6-20)33(39)40)25(34)30-12-11-21(15-30)14-29-26(35)41-17-19-3-7-22(8-4-19)32(37)38/h3-10,21,24,43H,2,11-18H2,1H3,(H,29,35)