(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(methoxymethyl)-5-phosphonooxy-4-[10-[(Z)-tetradec-7-enoxy]decoxy]oxan-2-yl]oxymethyl]-4-dodecoxy-5-oxidanyl-3-(3-oxidanylidenetetradecanoylamino)oxane-2-carboxylic acid

Systemtic Name: (2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(methoxymethyl)-5-phosphonooxy-4-[10-[(Z)-tetradec-7-enoxy]decoxy]oxan-2-yl]oxymethyl]-4-dodecoxy-5-oxidanyl-3-(3-oxidanylidenetetradecanoylamino)oxane-2-carboxylic acid Openeye Name: (2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(methoxymethyl)-5-phosphonooxy-4-[10-[(Z)-tetradec-7-enoxy]decoxy]tetrahydropyran-2-yl]oxymethyl]-4-dodecoxy-5-hydroxy-3-(3-oxotetradecanoylamino)tetrahydropyran-2-carboxylic acid CAS Name: (2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(methoxymethyl)-5-phosphonooxy-4-[10-[(Z)-tetradec-7-enoxy]decoxy]-2-oxanyl]oxymethyl]-3-(1,3-dioxotetradecylamino)-4-dodecoxy-5-hydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(methoxymethyl)-5-phosphonooxy-4-[10-[(Z)-tetradec-7-enoxy]decoxy]oxan-2-yl]oxymethyl]-4-dodecoxy-5-hydroxy-3-(3-oxotetradecanoylamino)oxane-2-carboxylic acid Traditional Name: (2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(methoxymethyl)-5-phosphonooxy-4-[10-[(Z)-tetradec-7-enoxy]decoxy]tetrahydropyran-2-yl]oxymethyl]-5-hydroxy-3-(3-ketotetradecanoylamino)-4-lauryloxy-tetrahydropyran-2-carboxylic acid Formula: C66H123N2O17P MolecularWeight: 1247.659781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1C(C(OC(C1O)COC2C(C(C(C(O2)COC)OP(=O)(O)O)OCCCCCCCCCCOCCCCCCC=CCCCCCC)NC(=O)C)C(=O)O)NC(=O)CC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCO[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCCCCCCCCCCOCCCCCC/C=C\CCCCCC)NC(=O)C)C(=O)O)NC(=O)CC(=O)CCCCCCCCCCC

InChI

InChI=1S/C66H123N2O17P/c1-6-9-12-15-18-21-23-24-26-31-36-41-46-79-47-42-37-32-28-29-34-39-44-49-81-63-59(67-53(4)69)66(84-56(51-78-5)61(63)85-86(75,76)77)82-52-55-60(72)62(80-48-43-38-33-27-22-19-16-13-10-7-2)58(64(83-55)65(73)74)68-57(71)50-54(70)45-40-35-30-25-20-17-14-11-8-3/h21,23,55-56,58-64,66,72H,6-20,22,24-52H2,1-5H3,(H,67,69)(H,68,71)(H,73,74)(H2,75,76,77)/b23-21-/t55-,56-,58-,59-,60-,61-,62-,63-,64+,66-/m1/s1