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

Systemtic Name: 4-[[(2R,3R,4R,5R,6R)-2-[dodecyl(octadecanoyl)amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(2R,3R,4R,5R,6R)-2-[dodecyl(octadecanoyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2R,3R,4R,5R,6R)-2-[dodecyl(1-oxooctadecyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2R,3R,4R,5R,6R)-2-[dodecyl(octadecanoyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[lauryl(stearoyl)amino]-6-methylol-tetrahydropyran-3-yl]amino]-4-keto-butyric acid Formula: C40H76N2O8 MolecularWeight: 713.04004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N(CCCCCCCCCCCC)C1C(C(C(C(O1)CO)O)O)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N(CCCCCCCCCCCC)[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C40H76N2O8/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-35(45)42(31-27-25-23-21-14-12-10-8-6-4-2)40-37(41-34(44)29-30-36(46)47)39(49)38(48)33(32-43)50-40/h33,37-40,43,48-49H,3-32H2,1-2H3,(H,41,44)(H,46,47)/t33-,37-,38+,39-,40-/m1/s1