N-[(2S,3S,4R)-1-[(2S,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)octadecan-2-yl]hexacosanamide

Systemtic Name: N-[(2S,3S,4R)-1-[(2S,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)octadecan-2-yl]hexacosanamide Openeye Name: N-[(1S,2S,3R)-1-[[(2S,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-2,3-dihydroxy-heptadecyl]hexacosanamide CAS Name: N-[(2S,3S,4R)-1-[[(2S,3R,4R,5R,6R)-5-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydroxyoctadecan-2-yl]hexacosanamide IUPAC Name: N-[(2S,3S,4R)-1-[(2S,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]hexacosanamide Traditional Name: N-[(1S,2S,3R)-1-[[(2S,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-2,3-dihydroxy-heptadecyl]cerotamide Formula: C58H112N2O14 MolecularWeight: 1061.51488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)O)O)C(C(CCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C58H112N2O14/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-49(65)60-45(51(66)46(64)39-37-35-33-31-29-17-15-13-11-9-7-5-2)43-71-58-55(70)54(69)56(48(42-62)73-58)74-57-50(59-44(3)63)53(68)52(67)47(41-61)72-57/h45-48,50-58,61-62,64,66-70H,4-43H2,1-3H3,(H,59,63)(H,60,65)/t45-,46+,47+,48+,50+,51-,52+,53+,54+,55+,56-,57+,58-/m0/s1