3-methyl-2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]butyric acid Formula: C15H18F3N3O4 MolecularWeight: 361.31633

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CNC(=O)NC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CNC(=O)NC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C15H18F3N3O4/c1-8(2)12(13(23)24)21-11(22)7-19-14(25)20-10-5-3-4-9(6-10)15(16,17)18/h3-6,8,12H,7H2,1-2H3,(H,21,22)(H,23,24)(H2,19,20,25)