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

Systemtic Name: phenylmethoxycarbonyl (2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyloxycarbonyl (2S)-2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid phenylmethoxycarbonyl ester IUPAC Name: phenylmethoxycarbonyl (2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)propionic acid carbobenzoxy ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O6/c26-20(31-22(28)30-14-17-9-5-2-6-10-17)19(11-18-12-23-15-24-18)25-21(27)29-13-16-7-3-1-4-8-16/h1-10,12,15,19H,11,13-14H2,(H,23,24)(H,25,27)/t19-/m0/s1