methyl N-[5-[[(2R,3R,4R,5S,6S)-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-[(phenylmethyl)sulfinylmethyl]oxan-2-yl]oxymethyl]-2-chloranyl-phenyl]carbamate

Systemtic Name: methyl N-[5-[[(2R,3R,4R,5S,6S)-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-[(phenylmethyl)sulfinylmethyl]oxan-2-yl]oxymethyl]-2-chloranyl-phenyl]carbamate Openeye Name: methyl N-[5-[[(2R,3R,4R,5S,6S)-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-(benzylsulfinylmethyl)-3,4-dihydroxy-tetrahydropyran-2-yl]oxymethyl]-2-chloro-phenyl]carbamate CAS Name: N-[5-[[(2R,3R,4R,5S,6S)-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-[(phenylmethyl)sulfinylmethyl]-2-oxanyl]oxymethyl]-2-chlorophenyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-[[(2R,3R,4R,5S,6S)-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-(benzylsulfinylmethyl)-3,4-dihydroxyoxan-2-yl]oxymethyl]-2-chlorophenyl]carbamate Traditional Name: N-[5-[[(2R,3R,4R,5S,6S)-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-(benzylsulfinylmethyl)-3,4-dihydroxy-tetrahydropyran-2-yl]oxymethyl]-2-chloro-phenyl]carbamic acid methyl ester Formula: C35H40ClNO13S MolecularWeight: 750.209

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)COC2C(C(C(C(O2)CS(=O)CC3=CC=CC=C3)OC4C(C(C5C(O4)COC(O5)C6=CC=CC=C6)O)O)O)O)Cl

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS(=O)CC3=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/C35H40ClNO13S/c1-44-35(42)37-23-14-20(12-13-22(23)36)15-45-33-28(40)26(38)31(25(48-33)18-51(43)17-19-8-4-2-5-9-19)50-34-29(41)27(39)30-24(47-34)16-46-32(49-30)21-10-6-3-7-11-21/h2-14,24-34,38-41H,15-18H2,1H3,(H,37,42)/t24-,25-,26-,27-,28-,29-,30-,31-,32?,33-,34-,51?/m1/s1