(2S,3S,4R,5R,6R)-6-[(2R,3R,4S,5R)-2-acetamido-4,5-bis(oxidanyl)-1-oxidanylidene-6-sulfooxy-hexan-3-yl]oxy-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4S,5R)-2-acetamido-4,5-bis(oxidanyl)-1-oxidanylidene-6-sulfooxy-hexan-3-yl]oxy-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-6-[(1R,2S,3R)-1-[(1R)-1-acetamido-2-oxo-ethyl]-2,3-dihydroxy-4-sulfooxy-butoxy]-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4S,5R)-2-acetamido-4,5-dihydroxy-1-oxo-6-sulfooxyhexan-3-yl]oxy-3-[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)-2-oxanyl]oxy]-4,5-dihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4S,5R)-2-acetamido-4,5-dihydroxy-1-oxo-6-sulfooxyhexan-3-yl]oxy-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-6-[(1R,2S,3R)-1-[(1R)-1-acetamido-2-keto-ethyl]-2,3-dihydroxy-4-sulfoxy-butoxy]-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid Formula: C22H36N2O23S2 MolecularWeight: 760.65084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC2C(C(C(OC2C(=O)O)OC(C(C=O)NC(=O)C)C(C(COS(=O)(=O)O)O)O)O)O)COS(=O)(=O)O)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O[C@H]([C@H](C=O)NC(=O)C)[C@H]([C@@H](COS(=O)(=O)O)O)O)O)O)COS(=O)(=O)O)O)O

InChI

InChI=1S/C22H36N2O23S2/c1-6(26)23-8(3-25)17(12(29)9(28)4-42-48(36,37)38)45-22-16(33)15(32)18(19(47-22)20(34)35)46-21-11(24-7(2)27)14(31)13(30)10(44-21)5-43-49(39,40)41/h3,8-19,21-22,28-33H,4-5H2,1-2H3,(H,23,26)(H,24,27)(H,34,35)(H,36,37,38)(H,39,40,41)/t8-,9+,10+,11+,12-,13-,14+,15+,16+,17+,18-,19-,21-,22+/m0/s1