(2S)-3-(1H-imidazol-5-yl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoate

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoate Openeye Name: (2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propanoate IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propionate Formula: C16H17N4O5- MolecularWeight: 345.32998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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