bis(phenylmethyl) 2-[[2-(butanoylamino)-3-methyl-butanoyl]amino]pentanedioate

Systemtic Name: bis(phenylmethyl) 2-[[2-(butanoylamino)-3-methyl-butanoyl]amino]pentanedioate Openeye Name: dibenzyl 2-[[2-(butanoylamino)-3-methyl-butanoyl]amino]pentanedioate CAS Name: 2-[[3-methyl-1-oxo-2-(1-oxobutylamino)butyl]amino]pentanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[[2-(butanoylamino)-3-methylbutanoyl]amino]pentanedioate Traditional Name: 2-[(2-butyramido-3-methyl-butanoyl)amino]glutaric acid dibenzyl ester Formula: C28H36N2O6 MolecularWeight: 496.59524

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C(C)C)C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC(C(C)C)C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H36N2O6/c1-4-11-24(31)30-26(20(2)3)27(33)29-23(28(34)36-19-22-14-9-6-10-15-22)16-17-25(32)35-18-21-12-7-5-8-13-21/h5-10,12-15,20,23,26H,4,11,16-19H2,1-3H3,(H,29,33)(H,30,31)