[5-[(2-fluoranyl-3-phenylmethoxycarbonyloxy-tetradecanoyl)amino]-3-oxidanyl-2-(phenylmethoxycarbonyloxymethyl)-6-prop-2-enoxy-oxan-4-yl] 3-tetradecanoyloxytetradecanoate

Systemtic Name: [5-[(2-fluoranyl-3-phenylmethoxycarbonyloxy-tetradecanoyl)amino]-3-oxidanyl-2-(phenylmethoxycarbonyloxymethyl)-6-prop-2-enoxy-oxan-4-yl] 3-tetradecanoyloxytetradecanoate Openeye Name: [2-allyloxy-3-[(3-benzyloxycarbonyloxy-2-fluoro-tetradecanoyl)amino]-6-(benzyloxycarbonyloxymethyl)-5-hydroxy-tetrahydropyran-4-yl] 3-tetradecanoyloxytetradecanoate CAS Name: 3-(1-oxotetradecoxy)tetradecanoic acid [5-[(2-fluoro-1-oxo-3-phenylmethoxycarbonyloxytetradecyl)amino]-3-hydroxy-2-(phenylmethoxycarbonyloxymethyl)-6-prop-2-enoxy-4-oxanyl] ester IUPAC Name: [5-[(2-fluoro-3-phenylmethoxycarbonyloxytetradecanoyl)amino]-3-hydroxy-2-(phenylmethoxycarbonyloxymethyl)-6-prop-2-enoxyoxan-4-yl] 3-tetradecanoyloxytetradecanoate Traditional Name: 3-tetradecanoyloxymyristic acid [2-allyloxy-3-[(3-carbobenzoxyoxy-2-fluoro-tetradecanoyl)amino]-6-(carbobenzoxyoxymethyl)-5-hydroxy-tetrahydropyran-4-yl] ester Formula: C67H106FNO14 MolecularWeight: 1168.555243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1O)COC(=O)OCC2=CC=CC=C2)OCC=C)NC(=O)C(C(CCCCCCCCCCC)OC(=O)OCC3=CC=CC=C3)F

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1O)COC(=O)OCC2=CC=CC=C2)OCC=C)NC(=O)C(C(CCCCCCCCCCC)OC(=O)OCC3=CC=CC=C3)F

InChI

InChI=1S/C67H106FNO14/c1-5-9-12-15-18-21-22-25-28-31-40-47-58(70)80-55(45-38-29-26-23-19-16-13-10-6-2)49-59(71)83-63-61(65(76-48-8-4)81-57(62(63)72)52-79-66(74)77-50-53-41-34-32-35-42-53)69-64(73)60(68)56(46-39-30-27-24-20-17-14-11-7-3)82-67(75)78-51-54-43-36-33-37-44-54/h8,32-37,41-44,55-57,60-63,65,72H,4-7,9-31,38-40,45-52H2,1-3H3,(H,69,73)