2-[[4-[(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylamino]-2-chloranyl-phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[4-[(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylamino]-2-chloranyl-phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-[(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)amino]-2-chloro-benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[4-[[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]amino]-2-chlorophenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-[(5-tert-butyl-2-methylpyrazole-3-carbonyl)amino]-2-chlorobenzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-[(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)amino]-2-chloro-benzoyl]amino]-4-methyl-valeric acid Formula: C22H29ClN4O4 MolecularWeight: 448.94306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC(=NN2C)C(C)(C)C)Cl

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC(=NN2C)C(C)(C)C)Cl

InChI

InChI=1S/C22H29ClN4O4/c1-12(2)9-16(21(30)31)25-19(28)14-8-7-13(10-15(14)23)24-20(29)17-11-18(22(3,4)5)26-27(17)6/h7-8,10-12,16H,9H2,1-6H3,(H,24,29)(H,25,28)(H,30,31)