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

Systemtic Name: [(2S,3R,4R,5S,6R)-5-acetyloxy-3-azanyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] pent-4-enoate Openeye Name: [(2S,3R,4R,5S,6R)-5-acetoxy-3-amino-4-benzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl] pent-4-enoate CAS Name: 4-pentenoic acid [(2S,3R,4R,5S,6R)-5-acetyloxy-3-amino-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6R)-5-acetyloxy-3-amino-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] pent-4-enoate Traditional Name: pent-4-enoic acid [(2S,3R,4R,5S,6R)-5-acetoxy-3-amino-4-benzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl] ester Formula: C27H33NO7 MolecularWeight: 483.55342

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H33NO7/c1-3-4-15-23(30)35-27-24(28)26(32-17-21-13-9-6-10-14-21)25(33-19(2)29)22(34-27)18-31-16-20-11-7-5-8-12-20/h3,5-14,22,24-27H,1,4,15-18,28H2,2H3/t22-,24-,25-,26-,27+/m1/s1