[(2R,3R,4R,5R,6S)-5-acetamido-2-(acetamidomethyl)-4-acetyloxy-6-phenylmethoxy-oxan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4R,5R,6S)-5-acetamido-2-(acetamidomethyl)-4-acetyloxy-6-phenylmethoxy-oxan-3-yl] ethanoate Openeye Name: [(2R,3R,4R,5R,6S)-5-acetamido-2-(acetamidomethyl)-4-acetoxy-6-benzyloxy-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4R,5R,6S)-5-acetamido-2-(acetamidomethyl)-4-acetyloxy-6-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R,6S)-5-acetamido-2-(acetamidomethyl)-4-acetyloxy-6-phenylmethoxyoxan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4R,5R,6S)-5-acetamido-2-(acetamidomethyl)-4-acetoxy-6-benzoxy-tetrahydropyran-3-yl] ester Formula: C21H28N2O8 MolecularWeight: 436.45562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1C(C(C(C(O1)OCC2=CC=CC=C2)NC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC2=CC=CC=C2)NC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H28N2O8/c1-12(24)22-10-17-19(29-14(3)26)20(30-15(4)27)18(23-13(2)25)21(31-17)28-11-16-8-6-5-7-9-16/h5-9,17-21H,10-11H2,1-4H3,(H,22,24)(H,23,25)/t17-,18-,19-,20-,21+/m1/s1