2-methyl-2-[[4-[4-(1H-pyrazol-4-ylcarbonylamino)phenyl]cyclohexyl]carbonylamino]propanoic acid

Systemtic Name: 2-methyl-2-[[4-[4-(1H-pyrazol-4-ylcarbonylamino)phenyl]cyclohexyl]carbonylamino]propanoic acid Openeye Name: 2-methyl-2-[[4-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclohexanecarbonyl]amino]propanoic acid CAS Name: 2-methyl-2-[[oxo-[4-[4-[[oxo(1H-pyrazol-4-yl)methyl]amino]phenyl]cyclohexyl]methyl]amino]propanoic acid IUPAC Name: 2-methyl-2-[[4-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclohexanecarbonyl]amino]propanoic acid Traditional Name: 2-methyl-2-[[4-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclohexanecarbonyl]amino]propionic acid Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C1CCC(CC1)C2=CC=C(C=C2)NC(=O)C3=CNN=C3

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C1CCC(CC1)C2=CC=C(C=C2)NC(=O)C3=CNN=C3

InChI

InChI=1S/C21H26N4O4/c1-21(2,20(28)29)25-19(27)15-5-3-13(4-6-15)14-7-9-17(10-8-14)24-18(26)16-11-22-23-12-16/h7-13,15H,3-6H2,1-2H3,(H,22,23)(H,24,26)(H,25,27)(H,28,29)