2-[[4-[(4-fluorophenyl)carbonylamino]-3-methyl-phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[4-[(4-fluorophenyl)carbonylamino]-3-methyl-phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-[(4-fluorobenzoyl)amino]-3-methyl-benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[4-[[(4-fluorophenyl)-oxomethyl]amino]-3-methylphenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-[(4-fluorobenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-[(4-fluorobenzoyl)amino]-3-methyl-benzoyl]amino]-4-methyl-valeric acid Formula: C21H23FN2O4 MolecularWeight: 386.416723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H23FN2O4/c1-12(2)10-18(21(27)28)24-20(26)15-6-9-17(13(3)11-15)23-19(25)14-4-7-16(22)8-5-14/h4-9,11-12,18H,10H2,1-3H3,(H,23,25)(H,24,26)(H,27,28)