N-[3-[[2-(2-azanylpropanoylamino)-4-methyl-pentanoyl]amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-N-tetradecyl-octadecanamide

Systemtic Name: N-[3-[[2-(2-azanylpropanoylamino)-4-methyl-pentanoyl]amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-N-tetradecyl-octadecanamide Openeye Name: N-[3-[[2-(2-aminopropanoylamino)-4-methyl-pentanoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-N-tetradecyl-octadecanamide CAS Name: N-[3-[[2-[(2-amino-1-oxopropyl)amino]-4-methyl-1-oxopentyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-N-tetradecyloctadecanamide IUPAC Name: N-[3-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-tetradecyloctadecanamide Traditional Name: N-[3-[[2-(alanylamino)-4-methyl-pentanoyl]amino]-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]-N-myristyl-stearamide Formula: C47H92N4O7 MolecularWeight: 825.25598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N(CCCCCCCCCCCCCC)C1C(C(C(C(O1)CO)O)O)NC(=O)C(CC(C)C)NC(=O)C(C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N(CCCCCCCCCCCCCC)C1C(C(C(C(O1)CO)O)O)NC(=O)C(CC(C)C)NC(=O)C(C)N

InChI

InChI=1S/C47H92N4O7/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-41(53)51(34-32-30-28-26-24-19-17-15-13-11-9-7-2)47-42(44(55)43(54)40(36-52)58-47)50-46(57)39(35-37(3)4)49-45(56)38(5)48/h37-40,42-44,47,52,54-55H,6-36,48H2,1-5H3,(H,49,56)(H,50,57)