[(5S)-3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl]methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [(5S)-3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl]methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [(5S)-3-bromo-4,5-dihydroisoxazol-5-yl]methyl 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [(5S)-3-bromo-4,5-dihydroisoxazol-5-yl]methyl ester IUPAC Name: [(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [(5S)-3-bromo-2-isoxazolin-5-yl]methyl ester Formula: C21H21BrN2O5 MolecularWeight: 461.30584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1Br)COC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1[C@H](ON=C1Br)COC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21BrN2O5/c22-19-12-17(29-24-19)14-27-20(25)18(11-15-7-3-1-4-8-15)23-21(26)28-13-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,26)/t17-,18?/m0/s1