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

Systemtic Name: tert-butyl (2S)-4-methyl-2-[[4-(phenylcarbamoyl)-1H-imidazol-5-yl]carbonylamino]pentanoate Openeye Name: tert-butyl (2S)-4-methyl-2-[[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]amino]pentanoate CAS Name: (2S)-2-[[[4-[anilino(oxo)methyl]-1H-imidazol-5-yl]-oxomethyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-methyl-2-[[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]amino]valeric acid tert-butyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4/c1-13(2)11-15(20(28)29-21(3,4)5)25-19(27)17-16(22-12-23-17)18(26)24-14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3,(H,22,23)(H,24,26)(H,25,27)/t15-/m0/s1