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

Systemtic Name: 3-(4-hydroxyphenyl)-2-(3-methylsulfonylpropanoylamino)propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-(3-methylsulfonylpropanoylamino)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[(3-methylsulfonyl-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-(3-methylsulfonylpropanoylamino)propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-(3-mesylpropanoylamino)propionic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O

InChI

InChI=1S/C13H17NO6S/c1-21(19,20)7-6-12(16)14-11(13(17)18)8-9-2-4-10(15)5-3-9/h2-5,11,15H,6-8H2,1H3,(H,14,16)(H,17,18)