[3-(1H-imidazol-5-yl)-2-oxidanylidene-propanoyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: [3-(1H-imidazol-5-yl)-2-oxidanylidene-propanoyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: [3-(1H-imidazol-5-yl)-2-oxo-propanoyl] 2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid [3-(1H-imidazol-5-yl)-1,2-dioxopropyl] ester IUPAC Name: [3-(1H-imidazol-5-yl)-2-oxopropanoyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid [3-(1H-imidazol-5-yl)-2-keto-propanoyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OC(=O)C(=O)CC2=CN=CN2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OC(=O)C(=O)CC2=CN=CN2

InChI

InChI=1S/C20H23N3O6/c1-20(2,3)29-19(27)23-15(9-13-7-5-4-6-8-13)17(25)28-18(26)16(24)10-14-11-21-12-22-14/h4-8,11-12,15H,9-10H2,1-3H3,(H,21,22)(H,23,27)