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

Systemtic Name: tert-butyl (2S)-4-methyl-2-[[5-[(phenylmethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]pentanoate Openeye Name: tert-butyl (2S)-2-[[5-(benzylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[5-(benzylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[5-(benzylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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(NC=N1)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H30N4O4/c1-14(2)11-16(21(29)30-22(3,4)5)26-20(28)18-17(24-13-25-18)19(27)23-12-15-9-7-6-8-10-15/h6-10,13-14,16H,11-12H2,1-5H3,(H,23,27)(H,24,25)(H,26,28)/t16-/m0/s1