tert-butyl (2S)-4-methyl-2-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazol-5-yl]carbonylamino]pentanoate

Systemtic Name: tert-butyl (2S)-4-methyl-2-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazol-5-yl]carbonylamino]pentanoate Openeye Name: tert-butyl (2S)-4-methyl-2-[[4-(m-tolylcarbamoyl)-1H-imidazole-5-carbonyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[[4-[(3-methylanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-methyl-2-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[4-(m-tolylcarbamoyl)-1H-imidazole-5-carbonyl]amino]valeric acid tert-butyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NC(CC(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N4O4/c1-13(2)10-16(21(29)30-22(4,5)6)26-20(28)18-17(23-12-24-18)19(27)25-15-9-7-8-14(3)11-15/h7-9,11-13,16H,10H2,1-6H3,(H,23,24)(H,25,27)(H,26,28)/t16-/m0/s1