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

Systemtic Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]pentanedioic acid CAS Name: 2-[[3-methyl-1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]butyl]amino]pentanedioic acid IUPAC Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methylbutanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]glutaric acid Formula: C44H82N2O8 MolecularWeight: 767.13048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C44H82N2O8/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37(54-41(50)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)35-39(47)46-42(36(3)4)43(51)45-38(44(52)53)33-34-40(48)49/h36-38,42H,5-35H2,1-4H3,(H,45,51)(H,46,47)(H,48,49)(H,52,53)