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

Systemtic Name: tert-butyl (2S)-2-[[4-[(4-chlorophenyl)carbamoyl]-1H-imidazol-5-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: tert-butyl (2S)-2-[[4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C21H27ClN4O4 MolecularWeight: 434.91648

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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=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O4/c1-12(2)10-15(20(29)30-21(3,4)5)26-19(28)17-16(23-11-24-17)18(27)25-14-8-6-13(22)7-9-14/h6-9,11-12,15H,10H2,1-5H3,(H,23,24)(H,25,27)(H,26,28)/t15-/m0/s1