(2S)-2-azaniumyl-4-(4-tert-butylphenoxy)butanoate

Systemtic Name: (2S)-2-azaniumyl-4-(4-tert-butylphenoxy)butanoate Openeye Name: (2S)-2-azaniumyl-4-(4-tert-butylphenoxy)butanoate CAS Name: (2S)-2-ammonio-4-(4-tert-butylphenoxy)butanoate IUPAC Name: (2S)-2-azaniumyl-4-(4-tert-butylphenoxy)butanoate Traditional Name: (2S)-2-ammonio-4-(4-tert-butylphenoxy)butyrate Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3/c1-14(2,3)10-4-6-11(7-5-10)18-9-8-12(15)13(16)17/h4-7,12H,8-9,15H2,1-3H3,(H,16,17)/t12-/m0/s1