[(2R,3S,4R,5R,6R)-5-azanyl-6-pent-4-enoxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] ethanoate

Systemtic Name: [(2R,3S,4R,5R,6R)-5-azanyl-6-pent-4-enoxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] ethanoate Openeye Name: [(2R,3S,4R,5R,6R)-5-amino-4-benzyloxy-2-(benzyloxymethyl)-6-pent-4-enoxy-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2R,3S,4R,5R,6R)-5-amino-6-pent-4-enoxy-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6R)-5-amino-6-pent-4-enoxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6R)-5-amino-4-benzoxy-2-(benzoxymethyl)-6-pent-4-enoxy-tetrahydropyran-3-yl] ester Formula: C27H35NO6 MolecularWeight: 469.5699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C(C1OCC2=CC=CC=C2)N)OCCCC=C)COCC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)N)OCCCC=C)COCC3=CC=CC=C3

InChI

InChI=1S/C27H35NO6/c1-3-4-11-16-31-27-24(28)26(32-18-22-14-9-6-10-15-22)25(33-20(2)29)23(34-27)19-30-17-21-12-7-5-8-13-21/h3,5-10,12-15,23-27H,1,4,11,16-19,28H2,2H3/t23-,24-,25-,26-,27-/m1/s1