N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-2-(phenylmethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide

Systemtic Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-2-(phenylmethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide Openeye Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-benzyl-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide CAS Name: N-[(2S,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-(phenylmethyl)-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide IUPAC Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-benzyl-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide Traditional Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-benzyl-5-hydroxy-6-methylol-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide Formula: C29H44N2O16 MolecularWeight: 676.66346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC2(C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C)CC4=CC=CC=C4)CO)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@]2([C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)CC4=CC=CC=C4)CO)O)O

InChI

InChI=1S/C29H44N2O16/c1-12(35)30-18-22(40)19(37)15(9-32)43-27(18)47-29(8-14-6-4-3-5-7-14)26(31-13(2)36)25(21(39)17(11-34)46-29)45-28-24(42)23(41)20(38)16(10-33)44-28/h3-7,15-28,32-34,37-42H,8-11H2,1-2H3,(H,30,35)(H,31,36)/t15-,16-,17-,18-,19-,20+,21+,22-,23+,24-,25+,26-,27+,28+,29-/m1/s1