(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(hydroxymethyl)-4-oxidanyl-6-phenylsulfanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(hydroxymethyl)-4-oxidanyl-6-phenylsulfanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindolin-2-yl)-4-hydroxy-2-(hydroxymethyl)-6-phenylsulfanyl-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2S,4S,5R,6R)-5-acetamido-2-[[(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-5-(1,3-dioxo-2-isoindolyl)-4-hydroxy-2-(hydroxymethyl)-6-(phenylthio)-3-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-4-hydroxy-2-(hydroxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Traditional Name: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-2-[(2R,3S,4R,5R,6S)-4-hydroxy-2-methylol-6-(phenylthio)-5-phthalimido-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C37H46N2O19S MolecularWeight: 854.82814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2O)OC3C(OC(C(C3O)N4C(=O)C5=CC=CC=C5C4=O)SC6=CC=CC=C6)CO)CO)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)N4C(=O)C5=CC=CC=C5C4=O)SC6=CC=CC=C6)CO)CO)O)O

InChI

InChI=1S/C37H46N2O19S/c1-15(43)38-23-19(44)11-37(36(52)53,57-30(23)25(46)20(45)12-40)58-31-26(47)21(13-41)54-34(28(31)49)56-29-22(14-42)55-35(59-16-7-3-2-4-8-16)24(27(29)48)39-32(50)17-9-5-6-10-18(17)33(39)51/h2-10,19-31,34-35,40-42,44-49H,11-14H2,1H3,(H,38,43)(H,52,53)/t19-,20+,21+,22+,23+,24+,25+,26-,27+,28+,29+,30+,31-,34-,35-,37-/m0/s1