(2S,3S)-2-[2-(3-fluorophenyl)ethanoylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[2-(3-fluorophenyl)ethanoylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[2-(3-fluorophenyl)acetyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[2-(3-fluorophenyl)-1-oxoethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[2-(3-fluorophenyl)acetyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[2-(3-fluorophenyl)acetyl]amino]-3-methyl-valerate Formula: C14H17FNO3- MolecularWeight: 266.288083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FNO3/c1-3-9(2)13(14(18)19)16-12(17)8-10-5-4-6-11(15)7-10/h4-7,9,13H,3,8H2,1-2H3,(H,16,17)(H,18,19)/p-1/t9-,13-/m0/s1