(2S)-2-azanyl-4-methylsulfanyl-butanoic acid; 4-methylbenzenesulfonic acid

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-butanoic acid; 4-methylbenzenesulfonic acid Openeye Name: (2S)-2-amino-4-methylsulfanyl-butanoic acid; 4-methylbenzenesulfonic acid CAS Name: (2S)-2-amino-4-(methylthio)butanoic acid; 4-methylbenzenesulfonic acid IUPAC Name: (2S)-2-amino-4-methylsulfanylbutanoic acid; 4-methylbenzenesulfonic acid Traditional Name: (2S)-2-amino-4-(methylthio)butyric acid; tosylic acid Formula: C12H19NO5S2 MolecularWeight: 321.41296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CSCCC(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C5H11NO2S/c1-6-2-4-7(5-3-6)11(8,9)10;1-9-3-2-4(6)5(7)8/h2-5H,1H3,(H,8,9,10);4H,2-3,6H2,1H3,(H,7,8)/t;4-/m.0/s1