N-icosyl-5-[4-[6-(icosylamino)-2-methyl-6-oxidanylidene-hexan-2-yl]-2,5-bis(oxidanyl)phenyl]-5-methyl-hexanamide

Systemtic Name: N-icosyl-5-[4-[6-(icosylamino)-2-methyl-6-oxidanylidene-hexan-2-yl]-2,5-bis(oxidanyl)phenyl]-5-methyl-hexanamide Openeye Name: 5-[2,5-dihydroxy-4-[5-(icosylamino)-1,1-dimethyl-5-oxo-pentyl]phenyl]-N-icosyl-5-methyl-hexanamide CAS Name: N-eicosyl-5-[4-[6-(eicosylamino)-2-methyl-6-oxohexan-2-yl]-2,5-dihydroxyphenyl]-5-methylhexanamide IUPAC Name: 5-[2,5-dihydroxy-4-[6-(icosylamino)-2-methyl-6-oxohexan-2-yl]phenyl]-N-icosyl-5-methylhexanamide Traditional Name: N-arachyl-5-[4-[5-(arachylamino)-5-keto-1,1-dimethyl-pentyl]-2,5-dihydroxy-phenyl]-5-methyl-hexanamide Formula: C60H112N2O4 MolecularWeight: 925.54228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCNC(=O)CCCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CCCC(=O)NCCCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCNC(=O)CCCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CCCC(=O)NCCCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C60H112N2O4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49-61-57(65)45-43-47-59(3,4)53-51-56(64)54(52-55(53)63)60(5,6)48-44-46-58(66)62-50-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h51-52,63-64H,7-50H2,1-6H3,(H,61,65)(H,62,66)