3-(4-hydroxyphenyl)-2-(2-methylsulfanylethanoylamino)propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-(2-methylsulfanylethanoylamino)propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[(2-methylsulfanylacetyl)amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[2-(methylthio)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[(2-methylsulfanylacetyl)amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-(methylthio)acetyl]amino]propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O

Isomeric SMILES

CSCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O

InChI

InChI=1S/C12H15NO4S/c1-18-7-11(15)13-10(12(16)17)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3,(H,13,15)(H,16,17)