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

Systemtic Name: bis(phenylmethyl) 2-[[3-methyl-2-(octanoylamino)butanoyl]amino]pentanedioate Openeye Name: dibenzyl 2-[[3-methyl-2-(octanoylamino)butanoyl]amino]pentanedioate CAS Name: 2-[[3-methyl-1-oxo-2-(1-oxooctylamino)butyl]amino]pentanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[[3-methyl-2-(octanoylamino)butanoyl]amino]pentanedioate Traditional Name: 2-[[2-(caprylylamino)-3-methyl-butanoyl]amino]glutaric acid dibenzyl ester Formula: C32H44N2O6 MolecularWeight: 552.70156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44N2O6/c1-4-5-6-7-14-19-28(35)34-30(24(2)3)31(37)33-27(32(38)40-23-26-17-12-9-13-18-26)20-21-29(36)39-22-25-15-10-8-11-16-25/h8-13,15-18,24,27,30H,4-7,14,19-23H2,1-3H3,(H,33,37)(H,34,35)