(2S)-2-[(3-bromophenyl)methylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(3-bromophenyl)methylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(3-bromophenyl)methylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[(3-bromophenyl)methylamino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(3-bromophenyl)methylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(3-bromobenzyl)amino]-4-methyl-valeric acid Formula: C13H18BrNO2 MolecularWeight: 300.19152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO2/c1-9(2)6-12(13(16)17)15-8-10-4-3-5-11(14)7-10/h3-5,7,9,12,15H,6,8H2,1-2H3,(H,16,17)/t12-/m0/s1