2-azanyl-3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]propionic acid Formula: C16H25NO2S MolecularWeight: 295.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSCC(C(=O)O)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSCC(C(=O)O)N)C)C(C)(C)C

InChI

InChI=1S/C16H25NO2S/c1-10-6-12(16(3,4)5)7-11(2)13(10)8-20-9-14(17)15(18)19/h6-7,14H,8-9,17H2,1-5H3,(H,18,19)