4-methylsulfonyl-2-(propylcarbamoylamino)butanoic acid

Systemtic Name: 4-methylsulfonyl-2-(propylcarbamoylamino)butanoic acid Openeye Name: 4-methylsulfonyl-2-(propylcarbamoylamino)butanoic acid CAS Name: 4-methylsulfonyl-2-[[oxo(propylamino)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-(propylcarbamoylamino)butanoic acid Traditional Name: 4-mesyl-2-(propylcarbamoylamino)butyric acid Formula: C9H18N2O5S MolecularWeight: 266.31462

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCCNC(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C9H18N2O5S/c1-3-5-10-9(14)11-7(8(12)13)4-6-17(2,15)16/h7H,3-6H2,1-2H3,(H,12,13)(H2,10,11,14)