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

Systemtic Name: (4-nitrophenyl)methyl 2-acetamido-2-[bis(azanyl)methylideneamino]-1-pyrrolidin-1-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-acetamido-2-guanidino-1-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxylate CAS Name: 2-acetamido-2-(diaminomethylideneamino)-1-[oxo(1-pyrrolidinyl)methyl]-3-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-acetamido-2-(diaminomethylideneamino)-1-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 2-acetamido-2-guanidino-1-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid (4-nitrobenzyl) ester Formula: C20H27N7O6 MolecularWeight: 461.47168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C(CCN1C(=O)N2CCCC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N=C(N)N

Isomeric SMILES

CC(=O)NC1(C(CCN1C(=O)N2CCCC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N=C(N)N

InChI

InChI=1S/C20H27N7O6/c1-13(28)23-20(24-18(21)22)16(8-11-26(20)19(30)25-9-2-3-10-25)17(29)33-12-14-4-6-15(7-5-14)27(31)32/h4-7,16H,2-3,8-12H2,1H3,(H,23,28)(H4,21,22,24)