(2S)-2-[(3-bromanyl-4-fluoranyl-phenyl)methylcarbamoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[(3-bromanyl-4-fluoranyl-phenyl)methylcarbamoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(3-bromo-4-fluoro-phenyl)methylcarbamoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[(3-bromo-4-fluorophenyl)methylamino]-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(3-bromo-4-fluorophenyl)methylcarbamoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[(3-bromo-4-fluoro-benzyl)carbamoylamino]-4-methyl-valerate Formula: C14H17BrFN2O3- MolecularWeight: 360.198783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)NCC1=CC(=C(C=C1)F)Br

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)NCC1=CC(=C(C=C1)F)Br

InChI

InChI=1S/C14H18BrFN2O3/c1-8(2)5-12(13(19)20)18-14(21)17-7-9-3-4-11(16)10(15)6-9/h3-4,6,8,12H,5,7H2,1-2H3,(H,19,20)(H2,17,18,21)/p-1/t12-/m0/s1