[(2R,4S,5R)-5,6-bis(oxidanyl)-1-oxidanylidene-4-phosphonooxy-2-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]hexan-3-yl] (3R)-3-tetradecanoyloxytetradecanoate

Systemtic Name: [(2R,4S,5R)-5,6-bis(oxidanyl)-1-oxidanylidene-4-phosphonooxy-2-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]hexan-3-yl] (3R)-3-tetradecanoyloxytetradecanoate Openeye Name: [(2S,3R)-3,4-dihydroxy-1-[(1R)-2-oxo-1-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]ethyl]-2-phosphonooxy-butyl] (3R)-3-tetradecanoyloxytetradecanoate CAS Name: (3R)-3-(1-oxotetradecoxy)tetradecanoic acid [(2R,4S,5R)-5,6-dihydroxy-1-oxo-2-[[(3R)-1-oxo-3-(1-oxotetradecoxy)tetradecyl]amino]-4-phosphonooxyhexan-3-yl] ester IUPAC Name: [(2R,4S,5R)-5,6-dihydroxy-1-oxo-4-phosphonooxy-2-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]hexan-3-yl] (3R)-3-tetradecanoyloxytetradecanoate Traditional Name: (3R)-3-tetradecanoyloxymyristic acid [(2S,3R)-3,4-dihydroxy-1-[(1R)-2-keto-1-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]ethyl]-2-phosphonooxy-butyl] ester Formula: C62H118NO14P MolecularWeight: 1132.572381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC(C=O)C(C(C(CO)O)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H](C=O)C([C@H]([C@@H](CO)O)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C62H118NO14P/c1-5-9-13-17-21-25-27-31-35-39-43-47-58(68)74-53(45-41-37-33-29-23-19-15-11-7-3)49-57(67)63-55(51-64)61(62(56(66)52-65)77-78(71,72)73)76-60(70)50-54(46-42-38-34-30-24-20-16-12-8-4)75-59(69)48-44-40-36-32-28-26-22-18-14-10-6-2/h51,53-56,61-62,65-66H,5-50,52H2,1-4H3,(H,63,67)(H2,71,72,73)/t53-,54-,55+,56-,61?,62+/m1/s1