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

Systemtic Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 3-hydroxy-2-[[3-methyl-1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]butyl]amino]butanoic acid IUPAC Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methylbutanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]-3-hydroxy-butyric acid Formula: C43H82N2O7 MolecularWeight: 739.12038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H82N2O7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(34-38(47)44-40(35(3)4)42(49)45-41(36(5)46)43(50)51)52-39(48)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h35-37,40-41,46H,6-34H2,1-5H3,(H,44,47)(H,45,49)(H,50,51)