[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]oxan-2-yl]methyl 4-(dioctadecylamino)-4-oxidanylidene-butanoate

Systemtic Name: [(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]oxan-2-yl]methyl 4-(dioctadecylamino)-4-oxidanylidene-butanoate Openeye Name: [(2R,3S,4S,5R,6R)-3,4,5-tris[2-(tert-butoxycarbonylamino)ethoxy]-6-methoxy-tetrahydropyran-2-yl]methyl 4-(dioctadecylamino)-4-oxo-butanoate CAS Name: 4-(dioctadecylamino)-4-oxobutanoic acid [(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]oxan-2-yl]methyl 4-(dioctadecylamino)-4-oxobutanoate Traditional Name: 4-(distearylamino)-4-keto-butyric acid [(2R,3S,4S,5R,6R)-3,4,5-tris[2-(tert-butoxycarbonylamino)ethoxy]-6-methoxy-tetrahydropyran-2-yl]methyl ester Formula: C68H130N4O14 MolecularWeight: 1227.7782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCC(=O)OCC1C(C(C(C(O1)OC)OCCNC(=O)OC(C)(C)C)OCCNC(=O)OC(C)(C)C)OCCNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC)OCCNC(=O)OC(C)(C)C)OCCNC(=O)OC(C)(C)C)OCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C68H130N4O14/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-50-72(51-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-2)57(73)45-46-58(74)82-55-56-59(79-52-47-69-63(75)84-66(3,4)5)60(80-53-48-70-64(76)85-67(6,7)8)61(62(78-12)83-56)81-54-49-71-65(77)86-68(9,10)11/h56,59-62H,13-55H2,1-12H3,(H,69,75)(H,70,76)(H,71,77)/t56-,59+,60+,61-,62-/m1/s1