N-[5-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-bis(oxidanyl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-bis(oxidanyl)-6-[2-(phenylmethylsulfanyl)ethyl]oxan-2-yl]oxymethyl]-2-chloranyl-phenyl]ethanamide

Systemtic Name: N-[5-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-bis(oxidanyl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-bis(oxidanyl)-6-[2-(phenylmethylsulfanyl)ethyl]oxan-2-yl]oxymethyl]-2-chloranyl-phenyl]ethanamide Openeye Name: N-[5-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(2-benzylsulfanylethyl)-3,4-dihydroxy-tetrahydropyran-2-yl]oxymethyl]-2-chloro-phenyl]acetamide CAS Name: N-[5-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-dihydroxy-6-[2-(phenylmethylthio)ethyl]-2-oxanyl]oxymethyl]-2-chlorophenyl]acetamide IUPAC Name: N-[5-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(2-benzylsulfanylethyl)-3,4-dihydroxyoxan-2-yl]oxymethyl]-2-chlorophenyl]acetamide Traditional Name: N-[5-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[2-(benzylthio)ethyl]-3,4-dihydroxy-tetrahydropyran-2-yl]oxymethyl]-2-chloro-phenyl]acetamide Formula: C36H42ClNO11S MolecularWeight: 732.23678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)COC2C(C(C(C(O2)CCSCC3=CC=CC=C3)OC4C(C(C5C(O4)COC(O5)C6=CC=CC=C6)O)O)O)O)Cl

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CCSCC3=CC=CC=C3)O[C@@H]4[C@@H]([C@H]([C@H]5[C@H](O4)COC(O5)C6=CC=CC=C6)O)O)O)O)Cl

InChI

InChI=1S/C36H42ClNO11S/c1-20(39)38-25-16-22(12-13-24(25)37)17-44-35-30(42)28(40)32(26(46-35)14-15-50-19-21-8-4-2-5-9-21)49-36-31(43)29(41)33-27(47-36)18-45-34(48-33)23-10-6-3-7-11-23/h2-13,16,26-36,40-43H,14-15,17-19H2,1H3,(H,38,39)/t26-,27-,28-,29-,30-,31-,32-,33-,34?,35-,36-/m1/s1