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N-Acetyl-S-(2-hydroxy-1-phenylethyl)-L-cysteine-[d3] and N-Acetyl-S-(2-hydroxy-2-phenylethyl)-L-cysteine-[d3] (Mixture)

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N-Acetyl-S-(2-hydroxy-1-phenylethyl)-L-cysteine-[d3] and N-Acetyl-S-(2-hydroxy-2-phenylethyl)-L-cysteine-[d3] (Mixture)

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General Information
Catalog: BLP-007914
Molecular Formula: C13H14D3NO4S
Molecular Weight: 286.36

Chemical Structure

Synonyms	N-Acetyl-S-(2-hydroxy-1-phenylethyl)-L-cysteine-d3 + N-Acetyl-S-(2-hydroxy-2-phenylethyl)-L-cysteine-d3 (Mixture); N-Acetyl-S-(1-phenyl-2-hydroxyethyl)-L-cysteine-d3 + N-acetyl-S-(2-phenyl-2-hydroxyethyl)-L-cysteine-d3 (Mixture)
IUPAC Name	(2R)-3-(2-hydroxy-1-phenylethyl)sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid;(2R)-3-(2-hydroxy-2-phenylethyl)sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
Related CAS	69278-53-1 (unlabelled) 14510-10-2 (unlabelled)
Canonical SMILES	CC(=O)NC(CSCC(C1=CC=CC=C1)O)C(=O)O.CC(=O)NC(CSC(CO)C1=CC=CC=C1)C(=O)O
InChI	InChI=1S/2C13H17NO4S/c1-9(16)14-11(13(17)18)8-19-12(7-15)10-5-3-2-4-6-10;1-9(15)14-11(13(17)18)7-19-8-12(16)10-5-3-2-4-6-10/h2-6,11-12,15H,7-8H2,1H3,(H,14,16)(H,17,18);2-6,11-12,16H,7-8H2,1H3,(H,14,15)(H,17,18)/t211-,12?/m00/s1/i21D3
InChI Key	PLWMHTHHACUPJX-MJRQZODCSA-N
Melting Point	98-102°C
Purity	≥95%; ≥98% atom D
Solubility	Sparingly soluble in Methanol
Appearance	Off-white Solid
Storage	Store at -20°C under inert atmosphere

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