(2R)-2-[(2-hydroxyphenyl)methylazaniumyl]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[(2-hydroxyphenyl)methylazaniumyl]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[(2-hydroxyphenyl)methylammonio]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(2-hydroxyphenyl)methylammonio]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[(2-hydroxyphenyl)methylazaniumyl]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(salicylammonio)butyrate Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])[NH2+]CC1=CC=CC=C1O

Isomeric SMILES

CSCC[C@H](C(=O)[O-])[NH2+]CC1=CC=CC=C1O

InChI

InChI=1S/C12H17NO3S/c1-17-7-6-10(12(15)16)13-8-9-4-2-3-5-11(9)14/h2-5,10,13-14H,6-8H2,1H3,(H,15,16)/t10-/m1/s1