2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoic acid

Systemtic Name: 2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoic acid Openeye Name: 2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]butanoic acid IUPAC Name: 2-(3-hexadecanoyloxyoctadecanoylamino)-3-methylbutanoic acid Traditional Name: 2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butyric acid Formula: C39H75NO5 MolecularWeight: 638.0165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H75NO5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(33-36(41)40-38(34(3)4)39(43)44)45-37(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h34-35,38H,5-33H2,1-4H3,(H,40,41)(H,43,44)