2-[[(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]acetate CAS Name: 2-[[(2S)-3-(1H-imidazol-5-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]acetate IUPAC Name: 2-[[(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]acetate Formula: C16H17N4O5- MolecularWeight: 345.32998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CN=CN2)C(=O)NCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CN=CN2)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C16H18N4O5/c21-14(22)8-18-15(23)13(6-12-7-17-10-19-12)20-16(24)25-9-11-4-2-1-3-5-11/h1-5,7,10,13H,6,8-9H2,(H,17,19)(H,18,23)(H,20,24)(H,21,22)/p-1/t13-/m0/s1