tert-butyl (2S)-2-[[5-[(2-oxidanylidene-2-phenylmethoxy-ethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-2-[[5-[(2-oxidanylidene-2-phenylmethoxy-ethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-[[5-[(2-benzyloxy-2-oxo-ethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[5-[oxo-[(2-oxo-2-phenylmethoxyethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[5-[(2-benzoxy-2-keto-ethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]propionic acid tert-butyl ester Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26N4O6/c1-13(20(29)31-21(2,3)4)25-19(28)17-16(23-12-24-17)18(27)22-10-15(26)30-11-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H,22,27)(H,23,24)(H,25,28)/t13-/m0/s1