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

Systemtic Name: (2S,3S)-2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-3-methyl-valerate Formula: C14H16ClFNO3- MolecularWeight: 300.733143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClFNO3/c1-3-8(2)13(14(19)20)17-12(18)7-9-10(15)5-4-6-11(9)16/h4-6,8,13H,3,7H2,1-2H3,(H,17,18)(H,19,20)/p-1/t8-,13-/m0/s1