N-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-2-phenylsulfanyl-oxan-3-yl]ethanamide

Systemtic Name: N-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-2-phenylsulfanyl-oxan-3-yl]ethanamide Openeye Name: N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-phenylsulfanyl-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide CAS Name: N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-(phenylthio)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-oxanyl]acetamide IUPAC Name: N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-phenylsulfanyl-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide Traditional Name: N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-methylol-2-(phenylthio)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide Formula: C20H29NO10S MolecularWeight: 475.50996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1SC2=CC=CC=C2)CO)OC3C(C(C(C(O3)CO)O)O)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1SC2=CC=CC=C2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O

InChI

InChI=1S/C20H29NO10S/c1-9(24)21-13-15(26)18(31-19-17(28)16(27)14(25)11(7-22)29-19)12(8-23)30-20(13)32-10-5-3-2-4-6-10/h2-6,11-20,22-23,25-28H,7-8H2,1H3,(H,21,24)/t11-,12-,13-,14+,15-,16+,17-,18-,19+,20+/m1/s1