3-methylsulfonyl-2-[(phenylmethyl)carbamoylamino]propanoic acid

Systemtic Name: 3-methylsulfonyl-2-[(phenylmethyl)carbamoylamino]propanoic acid Openeye Name: 2-(benzylcarbamoylamino)-3-methylsulfonyl-propanoic acid CAS Name: 3-methylsulfonyl-2-[[oxo-[(phenylmethyl)amino]methyl]amino]propanoic acid IUPAC Name: 2-(benzylcarbamoylamino)-3-methylsulfonylpropanoic acid Traditional Name: 2-(benzylcarbamoylamino)-3-mesyl-propionic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C(=O)O)NC(=O)NCC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)CC(C(=O)O)NC(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C12H16N2O5S/c1-20(18,19)8-10(11(15)16)14-12(17)13-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,15,16)(H2,13,14,17)