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

Systemtic Name: (2S)-2-[(2-bromophenyl)methyl-methyl-amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(2-bromophenyl)methyl-methyl-amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[(2-bromophenyl)methyl-methylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(2-bromophenyl)methyl-methylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(2-bromobenzyl)-methyl-amino]-3-methyl-butyric acid Formula: C13H18BrNO2 MolecularWeight: 300.19152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(C)CC1=CC=CC=C1Br

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N(C)CC1=CC=CC=C1Br

InChI

InChI=1S/C13H18BrNO2/c1-9(2)12(13(16)17)15(3)8-10-6-4-5-7-11(10)14/h4-7,9,12H,8H2,1-3H3,(H,16,17)/t12-/m0/s1