dipotassium 2-[(3-acetamido-2-oxidanyl-propanoyl)amino]-4-sulfonato-butanoate

Systemtic Name: dipotassium 2-[(3-acetamido-2-oxidanyl-propanoyl)amino]-4-sulfonato-butanoate Openeye Name: dipotassium 2-[(3-acetamido-2-hydroxy-propanoyl)amino]-4-sulfonato-butanoate CAS Name: dipotassium 2-[(3-acetamido-2-hydroxy-1-oxopropyl)amino]-4-sulfonatobutanoate IUPAC Name: dipotassium 2-[(3-acetamido-2-hydroxypropanoyl)amino]-4-sulfonatobutanoate Traditional Name: dipotassium 2-[(3-acetamido-2-hydroxy-propanoyl)amino]-4-sulfonato-butyrate Formula: C9H14K2N2O8S MolecularWeight: 388.47766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(C(=O)NC(CCS(=O)(=O)[O-])C(=O)[O-])O.[K+].[K+]

Isomeric SMILES

CC(=O)NCC(C(=O)NC(CCS(=O)(=O)[O-])C(=O)[O-])O.[K+].[K+]

InChI

InChI=1S/C9H16N2O8S.2K/c1-5(12)10-4-7(13)8(14)11-6(9(15)16)2-3-20(17,18)19;;/h6-7,13H,2-4H2,1H3,(H,10,12)(H,11,14)(H,15,16)(H,17,18,19);;/q;2*+1/p-2