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

Systemtic Name: bis[(4-nitrophenyl)methyl] 3-acetamido-4-[bis(azanyl)methylideneamino]-1-methyl-2-pyrrolidin-1-ylcarbonyl-pyrrolidine-2,3-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 3-acetamido-4-guanidino-1-methyl-2-(pyrrolidine-1-carbonyl)pyrrolidine-2,3-dicarboxylate CAS Name: 3-acetamido-4-(diaminomethylideneamino)-1-methyl-2-[oxo(1-pyrrolidinyl)methyl]pyrrolidine-2,3-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 3-acetamido-4-(diaminomethylideneamino)-1-methyl-2-(pyrrolidine-1-carbonyl)pyrrolidine-2,3-dicarboxylate Traditional Name: 3-acetamido-4-guanidino-1-methyl-2-(pyrrolidine-1-carbonyl)pyrrolidine-2,3-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C29H34N8O10 MolecularWeight: 654.62786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C(CN(C1(C(=O)N2CCCC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C)N=C(N)N)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1(C(CN(C1(C(=O)N2CCCC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C)N=C(N)N)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H34N8O10/c1-18(38)33-28(25(40)46-16-19-5-9-21(10-6-19)36(42)43)23(32-27(30)31)15-34(2)29(28,24(39)35-13-3-4-14-35)26(41)47-17-20-7-11-22(12-8-20)37(44)45/h5-12,23H,3-4,13-17H2,1-2H3,(H,33,38)(H4,30,31,32)