2-azanyl-4-(2-azanylethyl)-5-oxidanylidene-2,3,3-tri(tetradecanoyl)octadecanoic acid

Systemtic Name: 2-azanyl-4-(2-azanylethyl)-5-oxidanylidene-2,3,3-tri(tetradecanoyl)octadecanoic acid Openeye Name: 2-amino-4-(2-aminoethyl)-5-oxo-2,3,3-tri(tetradecanoyl)octadecanoic acid CAS Name: 2-amino-4-(2-aminoethyl)-5-oxo-2,3,3-tris(1-oxotetradecyl)octadecanoic acid IUPAC Name: 2-amino-4-(2-aminoethyl)-5-oxo-2,3,3-tri(tetradecanoyl)octadecanoic acid Traditional Name: 2-amino-4-(2-aminoethyl)-5-keto-2,3,3-tri(tetradecanoyl)stearic acid Formula: C62H118N2O6 MolecularWeight: 987.61012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(CCN)C(C(=O)CCCCCCCCCCCCC)(C(=O)CCCCCCCCCCCCC)C(C(=O)CCCCCCCCCCCCC)(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(CCN)C(C(=O)CCCCCCCCCCCCC)(C(=O)CCCCCCCCCCCCC)C(C(=O)CCCCCCCCCCCCC)(C(=O)O)N

InChI

InChI=1S/C62H118N2O6/c1-5-9-13-17-21-25-29-33-37-41-45-49-56(65)55(53-54-63)61(57(66)50-46-42-38-34-30-26-22-18-14-10-6-2,58(67)51-47-43-39-35-31-27-23-19-15-11-7-3)62(64,60(69)70)59(68)52-48-44-40-36-32-28-24-20-16-12-8-4/h55H,5-54,63-64H2,1-4H3,(H,69,70)