2-[[2-(2-hexadecanoyloxyhexadecanoylamino)-3-methyl-butanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-(2-hexadecanoyloxyhexadecanoylamino)-3-methyl-butanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-(2-hexadecanoyloxyhexadecanoylamino)-3-methyl-butanoyl]amino]pentanedioic acid CAS Name: 2-[[3-methyl-1-oxo-2-[[1-oxo-2-(1-oxohexadecoxy)hexadecyl]amino]butyl]amino]pentanedioic acid IUPAC Name: 2-[[2-(2-hexadecanoyloxyhexadecanoylamino)-3-methylbutanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-(2-hexadecanoyloxyhexadecanoylamino)-3-methyl-butanoyl]amino]glutaric acid Formula: C42H78N2O8 MolecularWeight: 739.07732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCC)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCC)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C42H78N2O8/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(47)52-36(30-28-26-24-22-20-18-16-14-12-10-8-6-2)40(48)44-39(34(3)4)41(49)43-35(42(50)51)32-33-37(45)46/h34-36,39H,5-33H2,1-4H3,(H,43,49)(H,44,48)(H,45,46)(H,50,51)