(phenylmethyl) (2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)propionic acid benzyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CN=CN2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC2=CN=CN2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c25-20(27-13-16-7-3-1-4-8-16)19(11-18-12-22-15-23-18)24-21(26)28-14-17-9-5-2-6-10-17/h1-10,12,15,19H,11,13-14H2,(H,22,23)(H,24,26)/t19-/m0/s1