dipotassium 1-[(3-acetamido-2-oxidanyl-propanoyl)amino]-2-sulfonato-cyclopropane-1-carboxylate

Systemtic Name: dipotassium 1-[(3-acetamido-2-oxidanyl-propanoyl)amino]-2-sulfonato-cyclopropane-1-carboxylate Openeye Name: dipotassium 1-[(3-acetamido-2-hydroxy-propanoyl)amino]-2-sulfonato-cyclopropanecarboxylate CAS Name: dipotassium 1-[(3-acetamido-2-hydroxy-1-oxopropyl)amino]-2-sulfonato-1-cyclopropanecarboxylate IUPAC Name: dipotassium 1-[(3-acetamido-2-hydroxypropanoyl)amino]-2-sulfonatocyclopropane-1-carboxylate Traditional Name: dipotassium 1-[(3-acetamido-2-hydroxy-propanoyl)amino]-2-sulfonato-cyclopropanecarboxylate Formula: C9H12K2N2O8S MolecularWeight: 386.46178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(C(=O)NC1(CC1S(=O)(=O)[O-])C(=O)[O-])O.[K+].[K+]

Isomeric SMILES

CC(=O)NCC(C(=O)NC1(CC1S(=O)(=O)[O-])C(=O)[O-])O.[K+].[K+]

InChI

InChI=1S/C9H14N2O8S.2K/c1-4(12)10-3-5(13)7(14)11-9(8(15)16)2-6(9)20(17,18)19;;/h5-6,13H,2-3H2,1H3,(H,10,12)(H,11,14)(H,15,16)(H,17,18,19);;/q;2*+1/p-2