(2S)-2-azaniumyl-4-methyl-2-phenyl-pentanoate

Systemtic Name: (2S)-2-azaniumyl-4-methyl-2-phenyl-pentanoate Openeye Name: (2S)-2-azaniumyl-4-methyl-2-phenyl-pentanoate CAS Name: (2S)-2-ammonio-4-methyl-2-phenylpentanoate IUPAC Name: (2S)-2-azaniumyl-4-methyl-2-phenylpentanoate Traditional Name: (2S)-2-ammonio-4-methyl-2-phenyl-valerate Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)(C(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)C[C@](C1=CC=CC=C1)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H17NO2/c1-9(2)8-12(13,11(14)15)10-6-4-3-5-7-10/h3-7,9H,8,13H2,1-2H3,(H,14,15)/t12-/m0/s1