2-(phenylsulfonyl)ethyl (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,6S)-4-acetyloxy-6-(phenylmethoxymethyl)-3-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxypropanoate

Systemtic Name: 2-(phenylsulfonyl)ethyl (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,6S)-4-acetyloxy-6-(phenylmethoxymethyl)-3-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxypropanoate Openeye Name: 2-(benzenesulfonyl)ethyl (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,6S)-4-acetoxy-6-(benzyloxymethyl)-3-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-2-yl]oxy-2-benzyloxy-6-(benzyloxymethyl)tetrahydropyran-4-yl]oxypropanoate CAS Name: (2R)-2-[[(2S,3R,4R,5S,6R)-3-acetamido-5-[[(2S,3R,4S,6S)-4-acetyloxy-3-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-2-phenylmethoxy-6-(phenylmethoxymethyl)-4-oxanyl]oxy]propanoic acid 2-(benzenesulfonyl)ethyl ester IUPAC Name: 2-(benzenesulfonyl)ethyl (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,6S)-4-acetyloxy-6-(phenylmethoxymethyl)-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxypropanoate Traditional Name: (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,6S)-4-acetoxy-6-(benzoxymethyl)-3-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-2-yl]oxy-2-benzoxy-6-(benzoxymethyl)tetrahydropyran-4-yl]oxypropionic acid 2-besylethyl ester Formula: C51H59Cl3N2O16S MolecularWeight: 1094.44196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCS(=O)(=O)C1=CC=CC=C1)OC2C(C(OC(C2OC3C(C(CC(O3)COCC4=CC=CC=C4)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl)COCC5=CC=CC=C5)OCC6=CC=CC=C6)NC(=O)C

Isomeric SMILES

C[C@H](C(=O)OCCS(=O)(=O)C1=CC=CC=C1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H](C[C@H](O3)COCC4=CC=CC=C4)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl)COCC5=CC=CC=C5)OCC6=CC=CC=C6)NC(=O)C

InChI

InChI=1S/C51H59Cl3N2O16S/c1-33(47(59)65-24-25-73(61,62)40-22-14-7-15-23-40)68-46-44(55-34(2)57)48(66-29-38-20-12-6-13-21-38)71-42(31-64-28-37-18-10-5-11-19-37)45(46)72-49-43(56-50(60)67-32-51(52,53)54)41(69-35(3)58)26-39(70-49)30-63-27-36-16-8-4-9-17-36/h4-23,33,39,41-46,48-49H,24-32H2,1-3H3,(H,55,57)(H,56,60)/t33-,39+,41+,42-,43-,44-,45-,46-,48+,49+/m1/s1