(2S,3S)-2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[(3-fluoro-4-methyl-benzoyl)amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(3-fluoro-4-methylphenyl)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[(3-fluoro-4-methylbenzoyl)amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[(3-fluoro-4-methyl-benzoyl)amino]-3-methyl-valeric acid Formula: C14H18FNO3 MolecularWeight: 267.296023

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=CC(=C(C=C1)C)F

Isomeric SMILES

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

InChI

InChI=1S/C14H18FNO3/c1-4-8(2)12(14(18)19)16-13(17)10-6-5-9(3)11(15)7-10/h5-8,12H,4H2,1-3H3,(H,16,17)(H,18,19)/t8-,12-/m0/s1