3-[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfonylpropanoic acid

Systemtic Name: 3-[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfonylpropanoic acid Openeye Name: 3-[1-methyl-2-oxo-2-(propylamino)ethyl]sulfonylpropanoic acid CAS Name: 3-[1-oxo-1-(propylamino)propan-2-yl]sulfonylpropanoic acid IUPAC Name: 3-[1-oxo-1-(propylamino)propan-2-yl]sulfonylpropanoic acid Traditional Name: 3-[2-keto-1-methyl-2-(propylamino)ethyl]sulfonylpropionic acid Formula: C9H17NO5S MolecularWeight: 251.29998

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)S(=O)(=O)CCC(=O)O

Isomeric SMILES

CCCNC(=O)C(C)S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C9H17NO5S/c1-3-5-10-9(13)7(2)16(14,15)6-4-8(11)12/h7H,3-6H2,1-2H3,(H,10,13)(H,11,12)