N-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-[(1R,2R,3R,5S)-5-(hydroxymethyl)-2,3,5-tris(oxidanyl)cyclohexyl]oxy-4,5-bis(oxidanyl)oxan-3-yl]-2-propylsulfanyl-pyridine-4-carboxamide

Systemtic Name: N-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-[(1R,2R,3R,5S)-5-(hydroxymethyl)-2,3,5-tris(oxidanyl)cyclohexyl]oxy-4,5-bis(oxidanyl)oxan-3-yl]-2-propylsulfanyl-pyridine-4-carboxamide Openeye Name: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2R,3R,5S)-2,3,5-trihydroxy-5-(hydroxymethyl)cyclohexoxy]tetrahydropyran-3-yl]-2-propylsulfanyl-pyridine-4-carboxamide CAS Name: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2R,3R,5S)-2,3,5-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxanyl]-2-(propylthio)-4-pyridinecarboxamide IUPAC Name: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2R,3R,5S)-2,3,5-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxan-3-yl]-2-propylsulfanylpyridine-4-carboxamide Traditional Name: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-methylol-2-[(1R,2R,3R,5S)-2,3,5-trihydroxy-5-methylol-cyclohexoxy]tetrahydropyran-3-yl]-2-(propylthio)isonicotinamide Formula: C22H34N2O10S MolecularWeight: 518.57776

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=CC(=C1)C(=O)NC2C(C(C(OC2OC3CC(CC(C3O)O)(CO)O)CO)O)O

Isomeric SMILES

CCCSC1=NC=CC(=C1)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@@H]3C[C@@](C[C@H]([C@H]3O)O)(CO)O)CO)O)O

InChI

InChI=1S/C22H34N2O10S/c1-2-5-35-15-6-11(3-4-23-15)20(31)24-16-19(30)18(29)14(9-25)34-21(16)33-13-8-22(32,10-26)7-12(27)17(13)28/h3-4,6,12-14,16-19,21,25-30,32H,2,5,7-10H2,1H3,(H,24,31)/t12-,13-,14-,16-,17-,18-,19-,21+,22+/m1/s1