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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrFN2O3/c1-3-13(2,11(18)19)17-12(20)16-7-8-6-9(15)4-5-10(8)14/h4-6H,3,7H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1