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

Systemtic Name: (2S)-2-[(3-bromanyl-4-fluoranyl-phenyl)methylcarbamoylamino]-2-methyl-butanoate Openeye Name: (2S)-2-[(3-bromo-4-fluoro-phenyl)methylcarbamoylamino]-2-methyl-butanoate CAS Name: (2S)-2-[[[(3-bromo-4-fluorophenyl)methylamino]-oxomethyl]amino]-2-methylbutanoate IUPAC Name: (2S)-2-[(3-bromo-4-fluorophenyl)methylcarbamoylamino]-2-methylbutanoate Traditional Name: (2S)-2-[(3-bromo-4-fluoro-benzyl)carbamoylamino]-2-methyl-butyrate Formula: C13H15BrFN2O3- MolecularWeight: 346.172203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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