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Temocapril-[d5]

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General Information
Catalog: BLP-004577
CAS: 1356840-03-3
Molecular Formula: C23H23D5N2O5S2
Molecular Weight: 481.64

Chemical Structure

Description	Isotopic labelled Temocapril is an angiotensin-converting enzyme (ACE) inhibitor.
Synonyms	(2S,6R)-6-[[(1S)-1-(Ethoxycarbonyl)-3-phenyl-d5-propyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic Acid
IUPAC Name	2-[(2S,6R)-6-[[(2S)-1-ethoxy-1-oxo-4-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
Related CAS	111902-57-9 (unlabelled)
Canonical SMILES	CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3
InChI	InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)/t17-,18-,20-/m0/s1/i3D,4D,5D,7D,8D
InChI Key	FIQOFIRCTOWDOW-RJJPJTEUSA-N
Melting Point	168°C
Appearance	Crystalline Powder