N-[3-[(2-azanyl-4-methyl-pentanoyl)amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-N-octadecyl-dodecanamide; ethanoic acid

Systemtic Name: N-[3-[(2-azanyl-4-methyl-pentanoyl)amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-N-octadecyl-dodecanamide; ethanoic acid Openeye Name: acetic acid; N-[3-[(2-amino-4-methyl-pentanoyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-N-octadecyl-dodecanamide CAS Name: acetic acid; N-[3-[(2-amino-4-methyl-1-oxopentyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-N-octadecyldodecanamide IUPAC Name: acetic acid; N-[3-[(2-amino-4-methylpentanoyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-octadecyldodecanamide Traditional Name: acetic acid; N-[3-[(2-amino-4-methyl-pentanoyl)amino]-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]-N-stearyl-lauramide Formula: C44H87N3O8 MolecularWeight: 786.17688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C1C(C(C(C(O1)CO)O)O)NC(=O)C(CC(C)C)N)C(=O)CCCCCCCCCCC.CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C1C(C(C(C(O1)CO)O)O)NC(=O)C(CC(C)C)N)C(=O)CCCCCCCCCCC.CC(=O)O

InChI

InChI=1S/C42H83N3O6.C2H4O2/c1-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-45(37(47)30-28-26-24-22-14-12-10-8-6-2)42-38(40(49)39(48)36(33-46)51-42)44-41(50)35(43)32-34(3)4;1-2(3)4/h34-36,38-40,42,46,48-49H,5-33,43H2,1-4H3,(H,44,50);1H3,(H,3,4)