2-(3-methylsulfonylpropanoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(3-methylsulfonylpropanoylamino)-3-phenyl-propanoic acid Openeye Name: 2-(3-methylsulfonylpropanoylamino)-3-phenyl-propanoic acid CAS Name: 2-[(3-methylsulfonyl-1-oxopropyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-(3-methylsulfonylpropanoylamino)-3-phenylpropanoic acid Traditional Name: 2-(3-mesylpropanoylamino)-3-phenyl-propionic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-20(18,19)8-7-12(15)14-11(13(16)17)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15)(H,16,17)