(2S)-2-[2-(4-bromophenyl)ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[2-(4-bromophenyl)ethanoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[2-(4-bromophenyl)acetyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[2-(4-bromophenyl)acetyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[2-(4-bromophenyl)acetyl]amino]-3-methyl-butyric acid Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)CC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H16BrNO3/c1-8(2)12(13(17)18)15-11(16)7-9-3-5-10(14)6-4-9/h3-6,8,12H,7H2,1-2H3,(H,15,16)(H,17,18)/t12-/m0/s1