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

Systemtic Name: methyl 3-(1H-imidazol-5-yl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 3-(1H-imidazol-5-yl)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-imidazol-5-yl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H20N4O5/c1-25-16(23)14(7-13-8-18-11-20-13)21-15(22)9-19-17(24)26-10-12-5-3-2-4-6-12/h2-6,8,11,14H,7,9-10H2,1H3,(H,18,20)(H,19,24)(H,21,22)