2-[[6-azanyl-2-(3-hexadecanoyloxyoctadecanoylamino)hexanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[6-azanyl-2-(3-hexadecanoyloxyoctadecanoylamino)hexanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[6-amino-2-(3-hexadecanoyloxyoctadecanoylamino)hexanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[6-amino-1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]hexyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[6-amino-2-(3-hexadecanoyloxyoctadecanoylamino)hexanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[6-amino-2-(3-hexadecanoyloxyoctadecanoylamino)hexanoyl]amino]-3-hydroxy-butyric acid Formula: C44H85N3O7 MolecularWeight: 768.1616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H85N3O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-32-38(54-41(50)34-29-27-25-23-21-19-17-15-13-11-9-7-5-2)36-40(49)46-39(33-30-31-35-45)43(51)47-42(37(3)48)44(52)53/h37-39,42,48H,4-36,45H2,1-3H3,(H,46,49)(H,47,51)(H,52,53)