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N-acetyl-S-(2-hydroxypropyl)cysteine-[13C3,15N] Potassium Salt

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General Information
Catalog: BLP-002728
Molecular Formula: C5[13C]3H14[15N]O4S.K
Molecular Weight: 263.33

Chemical Structure

Synonyms	3-HPMA 13C3,15N Potassium Salt; potassium;2-(acetyl(13C,15N)amino)-3-(2-hydroxypropylsulfanyl)(1,2-13C2)propanoate; 2-Hydroxypropylmercapturic acid-13C3,15N
IUPAC Name	potassium N-(acetyl-1-13C)-S-(2-hydroxypropyl)cysteinate-1,2-13C2-15N
Related CAS	923-43-3 (unlabelled free acid)
Canonical SMILES	CC(CSCC(C(=O)[O-])NC(=O)C)O.[K+]
InChI	InChI=1S/C8H15NO4S.K/c1-5(10)3-14-4-7(8(12)13)9-6(2)11;/h5,7,10H,3-4H2,1-2H3,(H,9,11)(H,12,13);/q;+1/p-1/i6+1,7+1,8+1,9+1;
InChI Key	JYXUUPWFMSOAQO-DEVLZXJFSA-M