(2S)-2-[(5-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(5-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(5-bromo-2-fluoro-phenyl)methylcarbamoylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[(5-bromo-2-fluorophenyl)methylamino]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(5-bromo-2-fluorophenyl)methylcarbamoylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(5-bromo-2-fluoro-benzyl)carbamoylamino]-3-methyl-butyric acid Formula: C13H16BrFN2O3 MolecularWeight: 347.180143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)NCC1=C(C=CC(=C1)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrFN2O3/c1-7(2)11(12(18)19)17-13(20)16-6-8-5-9(14)3-4-10(8)15/h3-5,7,11H,6H2,1-2H3,(H,18,19)(H2,16,17,20)/t11-/m0/s1