(2S)-2-[[3,4-bis(fluoranyl)phenyl]carbamoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[[3,4-bis(fluoranyl)phenyl]carbamoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(3,4-difluorophenyl)carbamoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(3,4-difluoroanilino)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(3,4-difluorophenyl)carbamoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[(3,4-difluorophenyl)carbamoylamino]-4-methyl-valerate Formula: C13H15F2N2O3- MolecularWeight: 285.266606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)NC1=CC(=C(C=C1)F)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)NC1=CC(=C(C=C1)F)F

InChI

InChI=1S/C13H16F2N2O3/c1-7(2)5-11(12(18)19)17-13(20)16-8-3-4-9(14)10(15)6-8/h3-4,6-7,11H,5H2,1-2H3,(H,18,19)(H2,16,17,20)/p-1/t11-/m0/s1