2-(4-azanylbutyl)-2-[18-azanyloctadecyl(octanoyl)amino]-3-oxidanylidene-decanoic acid

Systemtic Name: 2-(4-azanylbutyl)-2-[18-azanyloctadecyl(octanoyl)amino]-3-oxidanylidene-decanoic acid Openeye Name: 2-(4-aminobutyl)-2-[18-aminooctadecyl(octanoyl)amino]-3-oxo-decanoic acid CAS Name: 2-(4-aminobutyl)-2-[18-aminooctadecyl(1-oxooctyl)amino]-3-oxodecanoic acid IUPAC Name: 2-(4-aminobutyl)-2-[18-aminooctadecyl(octanoyl)amino]-3-oxodecanoic acid Traditional Name: 2-(4-aminobutyl)-2-[18-aminooctadecyl(caprylyl)amino]-3-keto-capric acid Formula: C40H79N3O4 MolecularWeight: 666.07296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C(CCCCN)(C(=O)O)N(CCCCCCCCCCCCCCCCCCN)C(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)C(CCCCN)(C(=O)O)N(CCCCCCCCCCCCCCCCCCN)C(=O)CCCCCCC

InChI

InChI=1S/C40H79N3O4/c1-3-5-7-21-25-31-37(44)40(39(46)47,33-27-29-35-42)43(38(45)32-26-22-8-6-4-2)36-30-24-20-18-16-14-12-10-9-11-13-15-17-19-23-28-34-41/h3-36,41-42H2,1-2H3,(H,46,47)