[2-(2-azanylpyrrolidin-1-yl)carbonyl-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate

Systemtic Name: [2-(2-azanylpyrrolidin-1-yl)carbonyl-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate Openeye Name: [2-(2-aminopyrrolidine-1-carbonyl)-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate CAS Name: 3-mercapto-1-pyrrolidinecarboxylic acid [2-[(2-amino-1-pyrrolidinyl)-oxomethyl]-4-nitrophenyl]methyl ester IUPAC Name: [2-(2-aminopyrrolidine-1-carbonyl)-4-nitrophenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate Traditional Name: 3-mercaptopyrrolidine-1-carboxylic acid [2-(2-aminopyrrolidine-1-carbonyl)-4-nitro-benzyl] ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])COC(=O)N3CCC(C3)S)N

Isomeric SMILES

C1CC(N(C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])COC(=O)N3CCC(C3)S)N

InChI

InChI=1S/C17H22N4O5S/c18-15-2-1-6-20(15)16(22)14-8-12(21(24)25)4-3-11(14)10-26-17(23)19-7-5-13(27)9-19/h3-4,8,13,15,27H,1-2,5-7,9-10,18H2