bis(phenylmethyl) (2R)-2-[(3,5-dimethyl-4-nitro-phenyl)carbonylamino]pentanedioate

Systemtic Name: bis(phenylmethyl) (2R)-2-[(3,5-dimethyl-4-nitro-phenyl)carbonylamino]pentanedioate Openeye Name: dibenzyl (2R)-2-[(3,5-dimethyl-4-nitro-benzoyl)amino]pentanedioate CAS Name: (2R)-2-[[(3,5-dimethyl-4-nitrophenyl)-oxomethyl]amino]pentanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (2R)-2-[(3,5-dimethyl-4-nitrobenzoyl)amino]pentanedioate Traditional Name: (2R)-2-[(3,5-dimethyl-4-nitro-benzoyl)amino]glutaric acid dibenzyl ester Formula: C28H28N2O7 MolecularWeight: 504.53112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[N+](=O)[O-])C)C(=O)NC(CCC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1[N+](=O)[O-])C)C(=O)N[C@H](CCC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H28N2O7/c1-19-15-23(16-20(2)26(19)30(34)35)27(32)29-24(28(33)37-18-22-11-7-4-8-12-22)13-14-25(31)36-17-21-9-5-3-6-10-21/h3-12,15-16,24H,13-14,17-18H2,1-2H3,(H,29,32)/t24-/m1/s1