(2S)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(2-chloro-6-fluoro-phenyl)methylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(2-chloro-6-fluoro-benzyl)amino]-4-methyl-valeric acid Formula: C13H17ClFNO2 MolecularWeight: 273.730983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NCC1=C(C=CC=C1Cl)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NCC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C13H17ClFNO2/c1-8(2)6-12(13(17)18)16-7-9-10(14)4-3-5-11(9)15/h3-5,8,12,16H,6-7H2,1-2H3,(H,17,18)/t12-/m0/s1