bis(phenylmethyl) (2S)-2-[methyl-[(2-nitrophenyl)methyl]amino]pentanedioate

Systemtic Name: bis(phenylmethyl) (2S)-2-[methyl-[(2-nitrophenyl)methyl]amino]pentanedioate Openeye Name: dibenzyl (2S)-2-[methyl-[(2-nitrophenyl)methyl]amino]pentanedioate CAS Name: (2S)-2-[methyl-[(2-nitrophenyl)methyl]amino]pentanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (2S)-2-[methyl-[(2-nitrophenyl)methyl]amino]pentanedioate Traditional Name: (2S)-2-[methyl-(2-nitrobenzyl)amino]glutaric acid dibenzyl ester Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O6/c1-28(18-23-14-8-9-15-24(23)29(32)33)25(27(31)35-20-22-12-6-3-7-13-22)16-17-26(30)34-19-21-10-4-2-5-11-21/h2-15,25H,16-20H2,1H3/t25-/m0/s1