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

Systemtic Name: 2-(phenylsulfonyl)ethyl (2R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,5S,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(acetyloxymethyl)-6-phenylmethoxy-oxan-4-yl]oxypropanoate Openeye Name: 2-(benzenesulfonyl)ethyl (2R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,5S,6R)-3-acetamido-5-acetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-2-(acetoxymethyl)-6-benzyloxy-tetrahydropyran-4-yl]oxypropanoate CAS Name: (2R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-3-[[(2S,3R,5S,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-(acetyloxymethyl)-6-phenylmethoxy-4-oxanyl]oxy]propanoic acid 2-(benzenesulfonyl)ethyl ester IUPAC Name: 2-(benzenesulfonyl)ethyl (2R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,5S,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(acetyloxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoate Traditional Name: (2R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,5S,6R)-3-acetamido-5-acetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-2-(acetoxymethyl)-6-benzoxy-tetrahydropyran-4-yl]oxypropionic acid 2-besylethyl ester Formula: C40H52N2O17S MolecularWeight: 864.90908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCS(=O)(=O)C1=CC=CC=C1)OC2C(C(OC(C2OC3C(CC(C(O3)COC(=O)C)OC(=O)C)NC(=O)C)COC(=O)C)OCC4=CC=CC=C4)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[C@@H]([C@H](O3)COC(=O)C)OC(=O)C)NC(=O)C)COC(=O)C)OCC4=CC=CC=C4)NC(=O)C

InChI

InChI=1S/C40H52N2O17S/c1-23(38(48)51-17-18-60(49,50)30-15-11-8-12-16-30)55-37-35(42-25(3)44)40(54-20-29-13-9-7-10-14-29)58-34(22-53-27(5)46)36(37)59-39-31(41-24(2)43)19-32(56-28(6)47)33(57-39)21-52-26(4)45/h7-16,23,31-37,39-40H,17-22H2,1-6H3,(H,41,43)(H,42,44)/t23-,31-,32+,33-,34-,35-,36-,37-,39+,40+/m1/s1