4-azanyl-2-(3-methylsulfonylpropanoylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-(3-methylsulfonylpropanoylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-(3-methylsulfonylpropanoylamino)-4-oxo-butanoic acid CAS Name: 4-amino-2-[(3-methylsulfonyl-1-oxopropyl)amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-(3-methylsulfonylpropanoylamino)-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-(3-mesylpropanoylamino)butyric acid Formula: C8H14N2O6S MolecularWeight: 266.27156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14N2O6S/c1-17(15,16)3-2-7(12)10-5(8(13)14)4-6(9)11/h5H,2-4H2,1H3,(H2,9,11)(H,10,12)(H,13,14)