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

Systemtic Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 3-hydroxy-2-[[3-hydroxy-1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]butyl]amino]butanoic acid IUPAC Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-hydroxy-butanoyl]amino]-3-hydroxy-butyric acid Formula: C42H80N2O8 MolecularWeight: 741.0932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H80N2O8/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(33-37(47)43-39(34(3)45)41(49)44-40(35(4)46)42(50)51)52-38(48)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h34-36,39-40,45-46H,5-33H2,1-4H3,(H,43,47)(H,44,49)(H,50,51)