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d5-benazepril
SpectraBase Compound ID Cti660kl9yi
InChI InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1/i3D,4D,5D,8D,9D
InChIKey XPCFTKFZXHTYIP-DPINEGQSSA-N
Mol Weight 429.53 g/mol
Molecular Formula C24H232D5N2O5
Exact Mass 429.231206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uxKjIdAfFy
Name d5-benazepril
Alternate Name(s) 1(n)-[(methoxycarbonyl)methyl]-3-{[1-methoxycarbonyl-3-(pentadeuteriophenyl)propyl]amino}-2,3,4,5-tetrahydro-2-oxo-1-benzazepine 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid 2-[(3S)-3-[[(1S)-1-ethoxycarbonyl-3-(2,3,4,5,6-pentadeuteriophenyl)propyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxidanylidene-4-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid
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Formula C24H23D5N2O5
InChI InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1/i3D,4D,5D,8D,9D
InChIKey XPCFTKFZXHTYIP-DPINEGQSSA-N
Molecular Weight 429.528 g/mol
SMILES N([C@@]1(C(N(CC(=O)O)c2c(CC1)cccc2)=O)[H])[C@](C(=O)OCC)(CCc1c(c([2D])c(c(c1[2D])[2D])[2D])[2D])[H]
SPLASH splash10-0fl0-2669000000-e88435c8334f7993dcd8
Source of Spectrum JC-434-243-2
Wiley ID 1379333