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N-Acetyl-S-[3-acetamino-6-hydroxphenyl]cysteine Allyl Ester-[d5]

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N-Acetyl-S-[3-acetamino-6-hydroxphenyl]cysteine Allyl Ester-[d5]

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General Information
Catalog: BLP-006258
CAS: 1331889-45-2
Molecular Formula: C16H15D5N2O5S
Molecular Weight: 357.44

Chemical Structure

Synonyms	N-Acetyl-S-[3-acetamino-6-hydroxphenyl]cysteine-d5 Allyl Ester
IUPAC Name	prop-2-enyl (2R)-2-acetamido-3-[2,4-dideuterio-6-hydroxy-3-[(2,2,2-trideuterioacetyl)amino]phenyl]sulfanylpropanoate
Related CAS	1798895-39-2 (unlabelled)
Isomeric SMILES	[2H]C1=CC(=C(C(=C1NC(=O)C([2H])([2H])[2H])[2H])SC[C@@H](C(=O)OCC=C)NC(=O)C)O
Canonical SMILES	CC(=O)NC1=CC(=C(C=C1)O)SCC(C(=O)OCC=C)NC(=O)C
InChI	InChI=1S/C16H20N2O5S/c1-4-7-23-16(22)13(18-11(3)20)9-24-15-8-12(17-10(2)19)5-6-14(15)21/h4-6,8,13,21H,1,7,9H2,2-3H3,(H,17,19)(H,18,20)/t13-/m0/s1/i2D3,5D,8D
InChI Key	DPOLTMPLLWYRSB-ZMPJHPQOSA-N
Purity	>98%
Solubility	Soluble in Chloroform, Methanol
Appearance	Pale Pink Solid