2-(2-methylsulfonylethanoylamino)-3-(phenylmethyl)sulfonyl-propanoic acid

Systemtic Name: 2-(2-methylsulfonylethanoylamino)-3-(phenylmethyl)sulfonyl-propanoic acid Openeye Name: 3-benzylsulfonyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid CAS Name: 2-[(2-methylsulfonyl-1-oxoethyl)amino]-3-(phenylmethyl)sulfonylpropanoic acid IUPAC Name: 3-benzylsulfonyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid Traditional Name: 3-benzylsulfonyl-2-[(2-mesylacetyl)amino]propionic acid Formula: C13H17NO7S2 MolecularWeight: 363.40658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO7S2/c1-22(18,19)9-12(15)14-11(13(16)17)8-23(20,21)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15)(H,16,17)