(2S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-methoxycarbonyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(octadecanoylamino)propanoic acid

Systemtic Name: (2S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-methoxycarbonyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(octadecanoylamino)propanoic acid Openeye Name: (2S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-4-acetoxy-2-methoxycarbonyl-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-(octadecanoylamino)propanoic acid CAS Name: (2S)-3-[[(2R,3R,4R,5S,6R)-5-[[(2S,3R,4S,5S,6R)-4-[[(2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-methoxycarbonyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-(1-oxooctadecylamino)propanoic acid IUPAC Name: (2S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-methoxycarbonyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(octadecanoylamino)propanoic acid Traditional Name: (2S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-4-acetoxy-2-carbomethoxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-stearamido-propionic acid Formula: C53H88N2O26 MolecularWeight: 1169.26362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3(CC(C(C(O3)C(C(COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)O)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=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[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)O)O)O)C(=O)O

InChI

InChI=1S/C53H88N2O26/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(63)55-34(49(68)69)27-73-50-43(66)42(65)45(37(26-57)78-50)79-51-44(67)48(41(64)36(25-56)77-51)81-53(52(70)71-7)24-35(74-31(4)60)40(54-29(2)58)47(80-53)46(76-33(6)62)38(75-32(5)61)28-72-30(3)59/h34-38,40-48,50-51,56-57,64-67H,8-28H2,1-7H3,(H,54,58)(H,55,63)(H,68,69)/t34-,35-,36+,37+,38+,40+,41-,42+,43+,44+,45+,46+,47+,48-,50+,51-,53-/m0/s1