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

Systemtic Name: 3-[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl]sulfonylpropanoic acid Openeye Name: 3-(1-methyl-2-oxo-2-ureido-ethyl)sulfonylpropanoic acid CAS Name: 3-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid IUPAC Name: 3-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid Traditional Name: 3-(2-keto-1-methyl-2-ureido-ethyl)sulfonylpropionic acid Formula: C7H12N2O6S MolecularWeight: 252.24498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)S(=O)(=O)CCC(=O)O

Isomeric SMILES

CC(C(=O)NC(=O)N)S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C7H12N2O6S/c1-4(6(12)9-7(8)13)16(14,15)3-2-5(10)11/h4H,2-3H2,1H3,(H,10,11)(H3,8,9,12,13)