2-azanyl-4-(2-azanylethyl)-2,3,3-tri(octadecanoyl)-5-oxidanylidene-docosanoic acid

Systemtic Name: 2-azanyl-4-(2-azanylethyl)-2,3,3-tri(octadecanoyl)-5-oxidanylidene-docosanoic acid Openeye Name: 2-amino-4-(2-aminoethyl)-2,3,3-tri(octadecanoyl)-5-oxo-docosanoic acid CAS Name: 2-amino-4-(2-aminoethyl)-5-oxo-2,3,3-tris(1-oxooctadecyl)docosanoic acid IUPAC Name: 2-amino-4-(2-aminoethyl)-2,3,3-tri(octadecanoyl)-5-oxodocosanoic acid Traditional Name: 2-amino-4-(2-aminoethyl)-5-keto-2,3,3-tristearoyl-behenic acid Formula: C78H150N2O6 MolecularWeight: 1212.0354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CCN)C(C(=O)CCCCCCCCCCCCCCCCC)(C(=O)CCCCCCCCCCCCCCCCC)C(C(=O)CCCCCCCCCCCCCCCCC)(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CCN)C(C(=O)CCCCCCCCCCCCCCCCC)(C(=O)CCCCCCCCCCCCCCCCC)C(C(=O)CCCCCCCCCCCCCCCCC)(C(=O)O)N

InChI

InChI=1S/C78H150N2O6/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-72(81)71(69-70-79)77(73(82)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,74(83)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)78(80,76(85)86)75(84)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h71H,5-70,79-80H2,1-4H3,(H,85,86)