(4-nitrophenyl)methyl 2-[3-[[(2-nitramido-2-oxidanylidene-ethyl)-phenylmethoxycarbonyl-amino]methyl]pyrrolidin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[3-[[(2-nitramido-2-oxidanylidene-ethyl)-phenylmethoxycarbonyl-amino]methyl]pyrrolidin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[3-[[benzyloxycarbonyl-(2-nitramido-2-oxo-ethyl)amino]methyl]pyrrolidine-1-carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[[3-[[(2-nitramido-2-oxoethyl)-phenylmethoxycarbonylamino]methyl]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-[[(2-nitramido-2-oxoethyl)-phenylmethoxycarbonylamino]methyl]pyrrolidine-1-carbonyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[3-[[carbobenzoxy-(2-keto-2-nitramido-ethyl)amino]methyl]pyrrolidine-1-carbonyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C28H32N6O10S MolecularWeight: 644.65288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CN(CC(=O)N[N+](=O)[O-])C(=O)OCC2=CC=CC=C2)C(=O)C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

Isomeric SMILES

C1CN(CC1CN(CC(=O)N[N+](=O)[O-])C(=O)OCC2=CC=CC=C2)C(=O)C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

InChI

InChI=1S/C28H32N6O10S/c35-25(29-34(41)42)16-31(27(37)43-17-19-4-2-1-3-5-19)14-21-10-11-30(13-21)26(36)24-12-23(45)15-32(24)28(38)44-18-20-6-8-22(9-7-20)33(39)40/h1-9,21,23-24,45H,10-18H2,(H,29,35)