(2S)-2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-3-methyl-butyrate Formula: C13H14ClFNO3- MolecularWeight: 286.706563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)CC1=C(C=CC=C1Cl)F

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)CC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C13H15ClFNO3/c1-7(2)12(13(18)19)16-11(17)6-8-9(14)4-3-5-10(8)15/h3-5,7,12H,6H2,1-2H3,(H,16,17)(H,18,19)/p-1/t12-/m0/s1