6-[[3-acetamido-6-(methoxymethyl)-5-phosphonooxy-4-(3-tetradecanoyloxytetradecoxy)oxan-2-yl]oxymethyl]-5-oxidanyl-3-(tetradecanoylamino)-4-tetradecoxy-oxane-2-carboxylic acid

Systemtic Name: 6-[[3-acetamido-6-(methoxymethyl)-5-phosphonooxy-4-(3-tetradecanoyloxytetradecoxy)oxan-2-yl]oxymethyl]-5-oxidanyl-3-(tetradecanoylamino)-4-tetradecoxy-oxane-2-carboxylic acid Openeye Name: 6-[[3-acetamido-6-(methoxymethyl)-5-phosphonooxy-4-(3-tetradecanoyloxytetradecoxy)tetrahydropyran-2-yl]oxymethyl]-5-hydroxy-3-(tetradecanoylamino)-4-tetradecoxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-[[3-acetamido-6-(methoxymethyl)-4-[3-(1-oxotetradecoxy)tetradecoxy]-5-phosphonooxy-2-oxanyl]oxymethyl]-5-hydroxy-3-(1-oxotetradecylamino)-4-tetradecoxy-2-oxanecarboxylic acid IUPAC Name: 6-[[3-acetamido-6-(methoxymethyl)-5-phosphonooxy-4-(3-tetradecanoyloxytetradecoxy)oxan-2-yl]oxymethyl]-5-hydroxy-3-(tetradecanoylamino)-4-tetradecoxyoxane-2-carboxylic acid Traditional Name: 6-[[3-acetamido-6-(methoxymethyl)-5-phosphonooxy-4-(3-tetradecanoyloxytetradecoxy)tetrahydropyran-2-yl]oxymethyl]-5-hydroxy-4-myristyloxy-3-(tetradecanoylamino)tetrahydropyran-2-carboxylic acid Formula: C72H137N2O17P MolecularWeight: 1333.835141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1C(C(OC(C1O)COC2C(C(C(C(O2)COC)OP(=O)(O)O)OCCC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C)C(=O)O)NC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCOC1C(C(OC(C1O)COC2C(C(C(C(O2)COC)OP(=O)(O)O)OCCC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C)C(=O)O)NC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C72H137N2O17P/c1-7-11-15-19-23-27-30-33-37-41-45-49-54-85-68-64(74-62(76)51-47-43-39-35-31-28-24-20-16-12-8-2)70(71(79)80)89-60(66(68)78)57-87-72-65(73-58(5)75)69(67(91-92(81,82)83)61(90-72)56-84-6)86-55-53-59(50-46-42-38-34-26-22-18-14-10-4)88-63(77)52-48-44-40-36-32-29-25-21-17-13-9-3/h59-61,64-70,72,78H,7-57H2,1-6H3,(H,73,75)(H,74,76)(H,79,80)(H2,81,82,83)