4-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-[octadecyl(tetradecanoyl)amino]-4,5-bis(oxidanyl)oxan-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-[octadecyl(tetradecanoyl)amino]-4,5-bis(oxidanyl)oxan-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[octadecyl(tetradecanoyl)amino]tetrahydropyran-3-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[octadecyl(1-oxotetradecyl)amino]-3-oxanyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[octadecyl(tetradecanoyl)amino]oxan-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-methylol-2-[stearyl(tetradecanoyl)amino]tetrahydropyran-3-yl]amino]-4-keto-butyric acid Formula: C42H80N2O8 MolecularWeight: 741.0932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C1C(C(C(C(O1)CO)O)O)NC(=O)CCC(=O)O)C(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)CCC(=O)O)C(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C42H80N2O8/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-33-44(37(47)30-28-26-24-22-20-14-12-10-8-6-4-2)42-39(43-36(46)31-32-38(48)49)41(51)40(50)35(34-45)52-42/h35,39-42,45,50-51H,3-34H2,1-2H3,(H,43,46)(H,48,49)/t35-,39-,40-,41-,42-/m1/s1