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

Systemtic Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-6-(3-azanylpropoxy)-3-oxidanyl-oxan-4-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-6-(3-aminopropoxy)-3-hydroxy-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-6-(3-aminopropoxy)-3-hydroxy-4-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-6-(3-aminopropoxy)-3-hydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-6-(3-aminopropoxy)-3-hydroxy-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C25H43N3O17 MolecularWeight: 657.61882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OCC2C(C(C(C(O2)OCCCN)NC(=O)C)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)CO)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OCCCN)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)CO)O)O

InChI

InChI=1S/C25H43N3O17/c1-8(30)27-12-16(34)14(32)10(6-29)42-23(12)41-7-11-15(33)20(13(28-9(2)31)24(43-11)40-5-3-4-26)44-25-19(37)17(35)18(36)21(45-25)22(38)39/h10-21,23-25,29,32-37H,3-7,26H2,1-2H3,(H,27,30)(H,28,31)(H,38,39)/t10-,11-,12-,13-,14+,15+,16-,17+,18+,19-,20-,21+,23-,24-,25-/m1/s1