2-azanyl-4-[(3,4-dimethylphenyl)methylsulfanyl]butanoic acid

Systemtic Name: 2-azanyl-4-[(3,4-dimethylphenyl)methylsulfanyl]butanoic acid Openeye Name: 2-amino-4-[(3,4-dimethylphenyl)methylsulfanyl]butanoic acid CAS Name: 2-amino-4-[(3,4-dimethylphenyl)methylthio]butanoic acid IUPAC Name: 2-amino-4-[(3,4-dimethylphenyl)methylsulfanyl]butanoic acid Traditional Name: 2-amino-4-[(3,4-dimethylbenzyl)thio]butyric acid Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSCCC(C(=O)O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)CSCCC(C(=O)O)N)C

InChI

InChI=1S/C13H19NO2S/c1-9-3-4-11(7-10(9)2)8-17-6-5-12(14)13(15)16/h3-4,7,12H,5-6,8,14H2,1-2H3,(H,15,16)