[3-[5-azanyl-4-[(2-azanyl-3-oxidanyl-butanoyl)amino]-5-oxidanylidene-pentanoyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [3-[5-azanyl-4-[(2-azanyl-3-oxidanyl-butanoyl)amino]-5-oxidanylidene-pentanoyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [3-[5-amino-4-[(2-amino-3-hydroxy-butanoyl)amino]-5-oxo-pentanoyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[5-amino-4-[(2-amino-3-hydroxy-1-oxobutyl)amino]-1,5-dioxopentoxy]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-[5-amino-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoyl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [3-[5-amino-4-[(2-amino-3-hydroxy-butanoyl)amino]-5-keto-pentanoyl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C44H83N3O9 MolecularWeight: 798.14452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC(C(=O)N)NC(=O)C(C(C)O)N)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC(C(=O)N)NC(=O)C(C(C)O)N)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C44H83N3O9/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(49)54-34-37(35-55-40(50)33-32-38(43(46)52)47-44(53)42(45)36(3)48)56-41(51)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-38,42,48H,4-35,45H2,1-3H3,(H2,46,52)(H,47,53)