tert-butyl (2S)-2-[[4-(phenylcarbamoyl)-1H-imidazol-5-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-2-[[4-(phenylcarbamoyl)-1H-imidazol-5-yl]carbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-[[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[4-[anilino(oxo)methyl]-1H-imidazol-5-yl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]amino]propionic acid tert-butyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)NC(=O)C1=C(N=CN1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(N=CN1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H22N4O4/c1-11(17(25)26-18(2,3)4)21-15(23)13-14(20-10-19-13)16(24)22-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,19,20)(H,21,23)(H,22,24)/t11-/m0/s1