2-azanyl-4-(2-azanylethyl)-2,3,3-tri(hexadecanoyl)-5-oxidanylidene-icosanoic acid

Systemtic Name: 2-azanyl-4-(2-azanylethyl)-2,3,3-tri(hexadecanoyl)-5-oxidanylidene-icosanoic acid Openeye Name: 2-amino-4-(2-aminoethyl)-2,3,3-tri(hexadecanoyl)-5-oxo-icosanoic acid CAS Name: 2-amino-4-(2-aminoethyl)-5-oxo-2,3,3-tris(1-oxohexadecyl)eicosanoic acid IUPAC Name: 2-amino-4-(2-aminoethyl)-2,3,3-tri(hexadecanoyl)-5-oxoicosanoic acid Traditional Name: 2-amino-4-(2-aminoethyl)-2,3,3-tri(hexadecanoyl)-5-keto-arachidic acid Formula: C70H134N2O6 MolecularWeight: 1099.82276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(CCN)C(C(=O)CCCCCCCCCCCCCCC)(C(=O)CCCCCCCCCCCCCCC)C(C(=O)CCCCCCCCCCCCCCC)(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(CCN)C(C(=O)CCCCCCCCCCCCCCC)(C(=O)CCCCCCCCCCCCCCC)C(C(=O)CCCCCCCCCCCCCCC)(C(=O)O)N

InChI

InChI=1S/C70H134N2O6/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-64(73)63(61-62-71)69(65(74)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,66(75)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)70(72,68(77)78)67(76)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h63H,5-62,71-72H2,1-4H3,(H,77,78)