bis[(2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy-oxidanyl-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] triacontanedioate

Systemtic Name: bis[(2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy-oxidanyl-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] triacontanedioate Openeye Name: bis[(1S)-1-[[2-(tert-butoxycarbonylamino)ethoxy-hydroxy-phosphoryl]oxymethyl]-2-tetradecanoyloxy-ethyl] triacontanedioate CAS Name: triacontanedioic acid bis[(2S)-1-[hydroxy-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethoxy]phosphoryl]oxy-3-(1-oxotetradecoxy)propan-2-yl] ester IUPAC Name: bis[(2S)-1-[hydroxy-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] triacontanedioate Traditional Name: triacontanedioic acid bis[(1S)-1-[[2-(tert-butoxycarbonylamino)ethoxy-hydroxy-phosphoryl]oxymethyl]-2-tetradecanoyloxy-ethyl] ester Formula: C78H150N2O20P2 MolecularWeight: 1497.974522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)OC(C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCCNC(=O)OC(C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C78H150N2O20P2/c1-9-11-13-15-17-19-37-41-45-49-53-57-71(81)91-65-69(67-95-101(87,88)93-63-61-79-75(85)99-77(3,4)5)97-73(83)59-55-51-47-43-39-35-33-31-29-27-25-23-21-22-24-26-28-30-32-34-36-40-44-48-52-56-60-74(84)98-70(68-96-102(89,90)94-64-62-80-76(86)100-78(6,7)8)66-92-72(82)58-54-50-46-42-38-20-18-16-14-12-10-2/h69-70H,9-68H2,1-8H3,(H,79,85)(H,80,86)(H,87,88)(H,89,90)/t69-,70-/m0/s1