(4-nitrophenyl)methyl 1-acetamido-2-[bis(azanyl)methylideneamino]pyrrolidine-3-carboxylate disulfate

Systemtic Name: (4-nitrophenyl)methyl 1-acetamido-2-[bis(azanyl)methylideneamino]pyrrolidine-3-carboxylate disulfate Openeye Name: (4-nitrophenyl)methyl 1-acetamido-2-guanidino-pyrrolidine-3-carboxylate disulfate CAS Name: 1-acetamido-2-(diaminomethylideneamino)-3-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester disulfate IUPAC Name: (4-nitrophenyl)methyl 1-acetamido-2-(diaminomethylideneamino)pyrrolidine-3-carboxylate disulfate Traditional Name: 1-acetamido-2-guanidino-pyrrolidine-3-carboxylic acid (4-nitrobenzyl) ester disulfate Formula: C15H20N6O13S2-4 MolecularWeight: 556.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN1CCC(C1N=C(N)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)NN1CCC(C1N=C(N)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C15H20N6O5.2H2O4S/c1-9(22)19-20-7-6-12(13(20)18-15(16)17)14(23)26-8-10-2-4-11(5-3-10)21(24)25;2*1-5(2,3)4/h2-5,12-13H,6-8H2,1H3,(H,19,22)(H4,16,17,18);2*(H2,1,2,3,4)/p-4