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

Systemtic Name: [5-[(2-fluoranyl-3-phenylmethoxycarbonyloxy-tetradecanoyl)amino]-3-oxidanyl-2-(phenylmethoxycarbonyloxymethyl)-6-prop-2-enoxy-oxan-4-yl] 3-phenylmethoxytetradecanoate Openeye Name: [2-allyloxy-3-[(3-benzyloxycarbonyloxy-2-fluoro-tetradecanoyl)amino]-6-(benzyloxycarbonyloxymethyl)-5-hydroxy-tetrahydropyran-4-yl] 3-benzyloxytetradecanoate CAS Name: 3-phenylmethoxytetradecanoic 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-phenylmethoxytetradecanoate Traditional Name: 3-benzoxymyristic acid [2-allyloxy-3-[(3-carbobenzoxyoxy-2-fluoro-tetradecanoyl)amino]-6-(carbobenzoxyoxymethyl)-5-hydroxy-tetrahydropyran-4-yl] ester Formula: C60H86FNO13 MolecularWeight: 1048.322143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(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)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCC(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)OCC4=CC=CC=C4

InChI

InChI=1S/C60H86FNO13/c1-4-7-9-11-13-15-17-19-30-38-49(69-42-46-32-24-21-25-33-46)41-52(63)75-56-54(58(68-40-6-3)73-51(55(56)64)45-72-59(66)70-43-47-34-26-22-27-35-47)62-57(65)53(61)50(39-31-20-18-16-14-12-10-8-5-2)74-60(67)71-44-48-36-28-23-29-37-48/h6,21-29,32-37,49-51,53-56,58,64H,3-5,7-20,30-31,38-45H2,1-2H3,(H,62,65)