(2S,3S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-4-methyl-pentanoic acid hydrobromide

Systemtic Name: (2S,3S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-4-methyl-pentanoic acid hydrobromide Openeye Name: (2S,3S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-4-methyl-pentanoic acid hydrobromide CAS Name: (2S,3S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-4-methylpentanoic acid hydrobromide IUPAC Name: (2S,3S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-4-methylpentanoic acid hydrobromide Traditional Name: (2S,3S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-4-methyl-valeric acid hydrobromide Formula: C14H22BrNO3 MolecularWeight: 332.23338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(C(C)C)C(C(=O)O)N)C)O.Br

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3.BrH/c1-7(2)11(13(15)14(17)18)12-8(3)5-10(16)6-9(12)4;/h5-7,11,13,16H,15H2,1-4H3,(H,17,18);1H/t11-,13-;/m0./s1