(2S)-2-[2-(3-fluorophenyl)ethanoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-(3-fluorophenyl)ethanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-(3-fluorophenyl)acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-(3-fluorophenyl)-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-(3-fluorophenyl)acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(3-fluorophenyl)acetyl]amino]-3-methyl-butyrate Formula: C13H15FNO3- MolecularWeight: 252.261503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)CC1=CC(=CC=C1)F

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)CC1=CC(=CC=C1)F

InChI

InChI=1S/C13H16FNO3/c1-8(2)12(13(17)18)15-11(16)7-9-4-3-5-10(14)6-9/h3-6,8,12H,7H2,1-2H3,(H,15,16)(H,17,18)/p-1/t12-/m0/s1