[2,5-bis(oxidanyl)-6-(phenylmethoxycarbonyloxymethyl)-3-(3-phenylmethoxytetradecanoylamino)oxan-4-yl] 3-tetradecanoyloxytetradecanoate

Systemtic Name: [2,5-bis(oxidanyl)-6-(phenylmethoxycarbonyloxymethyl)-3-(3-phenylmethoxytetradecanoylamino)oxan-4-yl] 3-tetradecanoyloxytetradecanoate Openeye Name: [2-(benzyloxycarbonyloxymethyl)-5-(3-benzyloxytetradecanoylamino)-3,6-dihydroxy-tetrahydropyran-4-yl] 3-tetradecanoyloxytetradecanoate CAS Name: 3-(1-oxotetradecoxy)tetradecanoic acid [2,5-dihydroxy-3-[(1-oxo-3-phenylmethoxytetradecyl)amino]-6-(phenylmethoxycarbonyloxymethyl)-4-oxanyl] ester IUPAC Name: [2,5-dihydroxy-6-(phenylmethoxycarbonyloxymethyl)-3-(3-phenylmethoxytetradecanoylamino)oxan-4-yl] 3-tetradecanoyloxytetradecanoate Traditional Name: 3-tetradecanoyloxymyristic acid [5-(3-benzoxytetradecanoylamino)-2-(carbobenzoxyoxymethyl)-3,6-dihydroxy-tetrahydropyran-4-yl] ester Formula: C63H103NO12 MolecularWeight: 1066.49142

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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)O)NC(=O)CC(CCCCCCCCCCC)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C63H103NO12/c1-4-7-10-13-16-19-20-23-26-29-38-45-57(66)74-54(44-37-28-25-22-18-15-12-9-6-3)47-58(67)76-61-59(62(69)75-55(60(61)68)50-73-63(70)72-49-52-41-34-31-35-42-52)64-56(65)46-53(71-48-51-39-32-30-33-40-51)43-36-27-24-21-17-14-11-8-5-2/h30-35,39-42,53-55,59-62,68-69H,4-29,36-38,43-50H2,1-3H3,(H,64,65)