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

Systemtic Name: methyl 3-(1H-imidazol-5-yl)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate Openeye Name: methyl 2-[2-(benzyloxycarbonylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 3-(1H-imidazol-5-yl)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-imidazol-5-yl)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate Traditional Name: 2-[2-(benzyloxycarbonylamino)propanoylamino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5/c1-12(21-18(25)27-10-13-6-4-3-5-7-13)16(23)22-15(17(24)26-2)8-14-9-19-11-20-14/h3-7,9,11-12,15H,8,10H2,1-2H3,(H,19,20)(H,21,25)(H,22,23)