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

Systemtic Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-oxidanyl-butanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-hydroxy-butanoyl]amino]pentanedioic acid CAS Name: 2-[[3-hydroxy-1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]butyl]amino]pentanedioic acid IUPAC Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-hydroxybutanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-hydroxy-butanoyl]amino]glutaric acid Formula: C43H80N2O9 MolecularWeight: 769.1033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H80N2O9/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36(54-40(50)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)34-38(47)45-41(35(3)46)42(51)44-37(43(52)53)32-33-39(48)49/h35-37,41,46H,4-34H2,1-3H3,(H,44,51)(H,45,47)(H,48,49)(H,52,53)