(2S)-2-[[2,6-bis(fluoranyl)phenyl]carbamoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[[2,6-bis(fluoranyl)phenyl]carbamoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(2,6-difluorophenyl)carbamoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2,6-difluoroanilino)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(2,6-difluorophenyl)carbamoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[(2,6-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=C(C=CC=C1F)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)NC1=C(C=CC=C1F)F

InChI

InChI=1S/C13H16F2N2O3/c1-7(2)6-10(12(18)19)16-13(20)17-11-8(14)4-3-5-9(11)15/h3-5,7,10H,6H2,1-2H3,(H,18,19)(H2,16,17,20)/p-1/t10-/m0/s1