[2-[2-azanyl-3-oxidanylidene-3-(3-tetradecanoyloxytetradecanoylamino)propoxy]-6-(hydroxymethyl)-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)oxan-4-yl] 3-tetradecanoyloxytetradecanoate

Systemtic Name: [2-[2-azanyl-3-oxidanylidene-3-(3-tetradecanoyloxytetradecanoylamino)propoxy]-6-(hydroxymethyl)-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)oxan-4-yl] 3-tetradecanoyloxytetradecanoate Openeye Name: [2-[2-amino-3-oxo-3-(3-tetradecanoyloxytetradecanoylamino)propoxy]-6-(hydroxymethyl)-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)tetrahydropyran-4-yl] 3-tetradecanoyloxytetradecanoate CAS Name: 3-(1-oxotetradecoxy)tetradecanoic acid [2-[2-amino-3-oxo-3-[[1-oxo-3-(1-oxotetradecoxy)tetradecyl]amino]propoxy]-6-(hydroxymethyl)-3-[[1-oxo-3-(1-oxotetradecoxy)tetradecyl]amino]-5-phosphonooxy-4-oxanyl] ester IUPAC Name: [2-[2-amino-3-oxo-3-(3-tetradecanoyloxytetradecanoylamino)propoxy]-6-(hydroxymethyl)-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)oxan-4-yl] 3-tetradecanoyloxytetradecanoate Traditional Name: 3-tetradecanoyloxymyristic acid [2-[2-amino-3-keto-3-(3-tetradecanoyloxytetradecanoylamino)propoxy]-6-methylol-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)tetrahydropyran-4-yl] ester Formula: C93H176N3O18P MolecularWeight: 1655.375601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1C(C(C(OC1OCC(C(=O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)N)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1C(C(C(OC1OCC(C(=O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)N)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C93H176N3O18P/c1-7-13-19-25-31-37-40-46-52-58-64-70-85(100)109-78(67-61-55-49-43-34-28-22-16-10-4)73-83(98)95-89-91(113-88(103)75-80(69-63-57-51-45-36-30-24-18-12-6)111-87(102)72-66-60-54-48-42-39-33-27-21-15-9-3)90(114-115(105,106)107)82(76-97)112-93(89)108-77-81(94)92(104)96-84(99)74-79(68-62-56-50-44-35-29-23-17-11-5)110-86(101)71-65-59-53-47-41-38-32-26-20-14-8-2/h78-82,89-91,93,97H,7-77,94H2,1-6H3,(H,95,98)(H,96,99,104)(H2,105,106,107)