2-(4-azanylbutyl)-2-[18-azanyloctadecyl(dodecanoyl)amino]-3-oxidanylidene-tetradecanoic acid

Systemtic Name: 2-(4-azanylbutyl)-2-[18-azanyloctadecyl(dodecanoyl)amino]-3-oxidanylidene-tetradecanoic acid Openeye Name: 2-(4-aminobutyl)-2-[18-aminooctadecyl(dodecanoyl)amino]-3-oxo-tetradecanoic acid CAS Name: 2-(4-aminobutyl)-2-[18-aminooctadecyl(1-oxododecyl)amino]-3-oxotetradecanoic acid IUPAC Name: 2-(4-aminobutyl)-2-[18-aminooctadecyl(dodecanoyl)amino]-3-oxotetradecanoic acid Traditional Name: 2-(4-aminobutyl)-2-[18-aminooctadecyl(lauroyl)amino]-3-keto-myristic acid Formula: C48H95N3O4 MolecularWeight: 778.2856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C(CCCCN)(C(=O)O)N(CCCCCCCCCCCCCCCCCCN)C(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)C(CCCCN)(C(=O)O)N(CCCCCCCCCCCCCCCCCCN)C(=O)CCCCCCCCCCC

InChI

InChI=1S/C48H95N3O4/c1-3-5-7-9-11-21-25-29-33-39-45(52)48(47(54)55,41-35-37-43-50)51(46(53)40-34-30-26-22-12-10-8-6-4-2)44-38-32-28-24-20-18-16-14-13-15-17-19-23-27-31-36-42-49/h3-44,49-50H2,1-2H3,(H,54,55)