[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propoxy]-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propoxy]-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [(2R,3S,4S,5R,6R)-4,5-dibenzoyloxy-6-[(2R)-2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propoxy]-2-(hydroxymethyl)tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6R)-4,5-dibenzoyloxy-2-(hydroxymethyl)-6-[(2R)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propoxy]-3-oxanyl] ester IUPAC Name: [(2R,3S,4S,5R,6R)-4,5-dibenzoyloxy-2-(hydroxymethyl)-6-[(2R)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propoxy]oxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6R)-4,5-dibenzoyloxy-6-[(2R)-2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propoxy]-2-methylol-tetrahydropyran-3-yl] ester Formula: C39H37NO13 MolecularWeight: 727.70998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(COC1C(C(C(C(O1)CO)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C39H37NO13/c1-47-37(45)29(40-39(46)49-23-25-14-6-2-7-15-25)24-48-38-33(53-36(44)28-20-12-5-13-21-28)32(52-35(43)27-18-10-4-11-19-27)31(30(22-41)50-38)51-34(42)26-16-8-3-9-17-26/h2-21,29-33,38,41H,22-24H2,1H3,(H,40,46)/t29-,30-,31+,32+,33-,38-/m1/s1