8-[[(2R,3R,4R,5S,6R)-2-[dodecanoyl(octadecyl)amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]amino]-8-oxidanylidene-octanoic acid

Systemtic Name: 8-[[(2R,3R,4R,5S,6R)-2-[dodecanoyl(octadecyl)amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]amino]-8-oxidanylidene-octanoic acid Openeye Name: 8-[[(2R,3R,4R,5S,6R)-2-[dodecanoyl(octadecyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]amino]-8-oxo-octanoic acid CAS Name: 8-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[octadecyl(1-oxododecyl)amino]-3-oxanyl]amino]-8-oxooctanoic acid IUPAC Name: 8-[[(2R,3R,4R,5S,6R)-2-[dodecanoyl(octadecyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-8-oxooctanoic acid Traditional Name: 8-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-2-[lauroyl(stearyl)amino]-6-methylol-tetrahydropyran-3-yl]amino]-8-keto-caprylic acid Formula: C44H84N2O8 MolecularWeight: 769.14636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C1C(C(C(C(O1)CO)O)O)NC(=O)CCCCCCC(=O)O)C(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)CCCCCCC(=O)O)C(=O)CCCCCCCCCCC

InChI

InChI=1S/C44H84N2O8/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-27-31-35-46(39(49)33-29-24-22-20-12-10-8-6-4-2)44-41(43(53)42(52)37(36-47)54-44)45-38(48)32-28-25-26-30-34-40(50)51/h37,41-44,47,52-53H,3-36H2,1-2H3,(H,45,48)(H,50,51)/t37-,41-,42-,43-,44-/m1/s1