2-(4-azanylbutyl)-2-[18-azanyloctadecyl(hexanoyl)amino]-3-oxidanylidene-octanoic acid

Systemtic Name: 2-(4-azanylbutyl)-2-[18-azanyloctadecyl(hexanoyl)amino]-3-oxidanylidene-octanoic acid Openeye Name: 2-(4-aminobutyl)-2-[18-aminooctadecyl(hexanoyl)amino]-3-oxo-octanoic acid CAS Name: 2-(4-aminobutyl)-2-[18-aminooctadecyl(1-oxohexyl)amino]-3-oxooctanoic acid IUPAC Name: 2-(4-aminobutyl)-2-[18-aminooctadecyl(hexanoyl)amino]-3-oxooctanoic acid Traditional Name: 2-(4-aminobutyl)-2-[18-aminooctadecyl(caproyl)amino]-3-keto-caprylic acid Formula: C36H71N3O4 MolecularWeight: 609.96664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(CCCCN)(C(=O)O)N(CCCCCCCCCCCCCCCCCCN)C(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)C(CCCCN)(C(=O)O)N(CCCCCCCCCCCCCCCCCCN)C(=O)CCCCC

InChI

InChI=1S/C36H71N3O4/c1-3-5-21-27-33(40)36(35(42)43,29-23-25-31-38)39(34(41)28-22-6-4-2)32-26-20-18-16-14-12-10-8-7-9-11-13-15-17-19-24-30-37/h3-32,37-38H2,1-2H3,(H,42,43)