methyl (2S,4S,5R,6R)-4-acetyloxy-2-[(3R,4S,5S,6R)-2,3-diacetyloxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-5-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxane-2-carboxylate

Systemtic Name: methyl (2S,4S,5R,6R)-4-acetyloxy-2-[(3R,4S,5S,6R)-2,3-diacetyloxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-5-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxane-2-carboxylate Openeye Name: methyl (2S,4S,5R,6R)-4-acetoxy-2-[(3R,4S,5S,6R)-2,3-diacetoxy-5-benzyloxy-6-(benzyloxymethyl)tetrahydropyran-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]-5-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-4-acetyloxy-2-[[(3R,4S,5S,6R)-2,3-diacetyloxy-5-phenylmethoxy-6-(phenylmethoxymethyl)-4-oxanyl]oxy]-5-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R,6R)-4-acetyloxy-2-[(3R,4S,5S,6R)-2,3-diacetyloxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-5-(2,2,2-trichloroethoxycarbonylamino)oxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-4-acetoxy-2-[(3R,4S,5S,6R)-2,3-diacetoxy-5-benzoxy-6-(benzoxymethyl)tetrahydropyran-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]-5-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-2-carboxylic acid methyl ester Formula: C45H54Cl3NO21 MolecularWeight: 1051.26336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C1C(C(CC(O1)(C(=O)OC)OC2C(C(OC(C2OC(=O)C)OC(=O)C)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@H]([C@H]([C@H]1[C@@H]([C@H](C[C@@](O1)(C(=O)OC)O[C@H]2[C@H]([C@H](OC([C@@H]2OC(=O)C)OC(=O)C)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)OC(=O)C

InChI

InChI=1S/C45H54Cl3NO21/c1-24(50)60-22-34(64-26(3)52)37(65-27(4)53)38-35(49-43(57)62-23-45(46,47)48)32(63-25(2)51)18-44(69-38,42(56)58-7)70-39-36(61-20-31-16-12-9-13-17-31)33(21-59-19-30-14-10-8-11-15-30)68-41(67-29(6)55)40(39)66-28(5)54/h8-17,32-41H,18-23H2,1-7H3,(H,49,57)/t32-,33+,34+,35+,36-,37+,38+,39-,40+,41?,44-/m0/s1