(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-2-(butanoyloxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxy-2-carboxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(butanoyloxymethyl)-5-oxidanyl-oxan-4-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-2-(butanoyloxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxy-2-carboxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(butanoyloxymethyl)-5-oxidanyl-oxan-4-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-2-(butanoyloxymethyl)-3,6-dihydroxy-tetrahydropyran-4-yl]oxy-2-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-6-(butanoyloxymethyl)-5-hydroxy-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,5S,6R)-3-acetamido-2-[[(2S,3S,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(1-oxobutoxymethyl)-4-oxanyl]oxy]-2-carboxy-4,5-dihydroxy-3-oxanyl]oxy]-5-hydroxy-6-(1-oxobutoxymethyl)-4-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-2-(butanoyloxymethyl)-3,6-dihydroxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-6-(butanoyloxymethyl)-5-hydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-2-(butyryloxymethyl)-3,6-dihydroxy-tetrahydropyran-4-yl]oxy-2-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-6-(butyryloxymethyl)-5-hydroxy-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C36H56N2O25 MolecularWeight: 916.82824

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1C(C(C(C(O1)O)NC(=O)C)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)COC(=O)CCC)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)NC(=O)C)O)O)O

Isomeric SMILES

CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)CCC)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)NC(=O)C)O)O)O

InChI

InChI=1S/C36H56N2O25/c1-5-7-15(41)55-9-13-19(43)26(17(33(54)57-13)37-11(3)39)59-36-25(49)23(47)28(30(63-36)32(52)53)61-34-18(38-12(4)40)27(20(44)14(58-34)10-56-16(42)8-6-2)60-35-24(48)21(45)22(46)29(62-35)31(50)51/h13-14,17-30,33-36,43-49,54H,5-10H2,1-4H3,(H,37,39)(H,38,40)(H,50,51)(H,52,53)/t13-,14-,17-,18-,19-,20-,21+,22+,23-,24-,25-,26-,27-,28+,29+,30+,33-,34+,35-,36-/m1/s1