[(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] benzoate

Systemtic Name: [(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] benzoate Openeye Name: [(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrabenzyloxy-6-[(2R,3R,4R,5S,6R)-4-benzyloxy-6-(benzyloxymethyl)-3-(tert-butoxycarbonylamino)-5-hydroxy-tetrahydropyran-2-yl]oxy-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2R,3S,4R,5R,6R)-2-[[(2R,3R,4R,5S,6R)-5-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] ester IUPAC Name: [(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrabenzoxy-6-[(2R,3R,4R,5S,6R)-4-benzoxy-6-(benzoxymethyl)-3-(tert-butoxycarbonylamino)-5-hydroxy-tetrahydropyran-2-yl]oxy-cyclohexyl] ester Formula: C66H71NO13 MolecularWeight: 1086.26884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C(C(C(OC1OC2C(C(C(C(C2OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)COCC8=CC=CC=C8)O)OCC9=CC=CC=C9

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2[C@H]([C@@H]([C@H]([C@H]([C@H]2OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)COCC8=CC=CC=C8)O)OCC9=CC=CC=C9

InChI

InChI=1S/C66H71NO13/c1-66(2,3)80-65(70)67-54-56(72-40-47-27-13-5-14-28-47)55(68)53(45-71-39-46-25-11-4-12-26-46)77-64(54)79-62-60(76-44-51-35-21-9-22-36-51)58(74-42-49-31-17-7-18-32-49)57(73-41-48-29-15-6-16-30-48)59(75-43-50-33-19-8-20-34-50)61(62)78-63(69)52-37-23-10-24-38-52/h4-38,53-62,64,68H,39-45H2,1-3H3,(H,67,70)/t53-,54-,55-,56-,57-,58-,59-,60+,61-,62-,64-/m1/s1