6-azanyl-2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[3-methyl-1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]butyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methylbutanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]hexanoic acid Formula: C45H87N3O6 MolecularWeight: 766.18878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H87N3O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-33-39(54-42(50)35-30-28-26-24-22-20-18-16-14-12-10-8-6-2)37-41(49)48-43(38(3)4)44(51)47-40(45(52)53)34-31-32-36-46/h38-40,43H,5-37,46H2,1-4H3,(H,47,51)(H,48,49)(H,52,53)