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(2R,3S)Benazepril tert-Butyl Ester-[d5]

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General Information
Catalog: BLP-000425
CAS: 1356841-36-5
Molecular Formula: C28H31D5N2O5
Molecular Weight: 485.63

Chemical Structure

Description	(2R,3S)Benazepril tert-Butyl Ester-[d5], is the labelled analogue of (2R,3S)Benazepril tert-Butyl Ester, which is a diastereomer of Benazepril.
Synonyms	(2R,3S)Benazepril tert-Butyl Ester-d5; Ethyl (2R)-2-{[(3S)-1-(2-tert-butoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino}-4-(~2~H_5_)phenylbutanoate
IUPAC Name	ethyl (2R)-2-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-(2,3,4,5,6-pentadeuteriophenyl)butanoate
Related CAS	2094600-50-5 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])CC[C@H](C(=O)OCC)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)OC(C)(C)C)[2H])[2H]
Canonical SMILES	CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)OC(C)(C)C
InChI	InChI=1S/C28H36N2O5/c1-5-34-27(33)23(17-15-20-11-7-6-8-12-20)29-22-18-16-21-13-9-10-14-24(21)30(26(22)32)19-25(31)35-28(2,3)4/h6-14,22-23,29H,5,15-19H2,1-4H3/t22-,23+/m0/s1/i6D,7D,8D,11D,12D
InChI Key	QNLLWVSHZXSUNF-CPHFMIRLSA-N
Solubility	Soluble in Chloroform, Dichloromethane
Appearance	Pale Yellow Thick Oil