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

Systemtic Name: (2S)-2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-ethanoyl-amino]-3-methyl-butanoate Openeye Name: (2S)-2-[acetyl-[(2-chloro-6-fluoro-phenyl)methyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[acetyl-[(2-chloro-6-fluorophenyl)methyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[acetyl-[(2-chloro-6-fluorophenyl)methyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[acetyl-(2-chloro-6-fluoro-benzyl)amino]-3-methyl-butyrate Formula: C14H16ClFNO3- MolecularWeight: 300.733143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClFNO3/c1-8(2)13(14(19)20)17(9(3)18)7-10-11(15)5-4-6-12(10)16/h4-6,8,13H,7H2,1-3H3,(H,19,20)/p-1/t13-/m0/s1