N-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-oxidanyl-4-phenylmethoxy-oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-2-chloranyl-ethanamide

Systemtic Name: N-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-oxidanyl-4-phenylmethoxy-oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-2-chloranyl-ethanamide Openeye Name: N-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-benzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]-2-chloro-acetamide CAS Name: N-[(2R,3R,4R,5S,6R)-3-acetamido-5-[[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-phenylmethoxy-2-oxanyl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-oxanyl]-2-chloroacetamide IUPAC Name: N-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-2-chloroacetamide Traditional Name: N-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-benzoxy-5-hydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-benzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]-2-chloro-acetamide Formula: C39H48ClN3O11 MolecularWeight: 770.26492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1NC(=O)CCl)COCC2=CC=CC=C2)OC3C(C(C(C(O3)CO)O)OCC4=CC=CC=C4)NC(=O)C)OCC5=CC=CC=C5

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)CCl)COCC2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)OCC4=CC=CC=C4)NC(=O)C)OCC5=CC=CC=C5

InChI

InChI=1S/C39H48ClN3O11/c1-24(45)41-32-37(51-22-28-16-10-5-11-17-28)35(30(52-38(32)43-31(47)18-40)23-49-20-26-12-6-3-7-13-26)54-39-33(42-25(2)46)36(34(48)29(19-44)53-39)50-21-27-14-8-4-9-15-27/h3-17,29-30,32-39,44,48H,18-23H2,1-2H3,(H,41,45)(H,42,46)(H,43,47)/t29-,30-,32-,33-,34-,35-,36-,37-,38-,39+/m1/s1