CAS
90102-79-7 Purity
96%
90102-79-7 Purity
96%
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(7S)-8-[(2S)-2-[[(2S)-1-Hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-8-azabicyclo[2.2.2]octane-7-carboxylic acid
CAS
90103-92-7
Catalog Number
ACM90103927
Category
Other Products
Molecular Weight
388.457 g/mol
Molecular Formula
C21H28N2O5
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Specification
Synonyms
Zabiciprilate, Zabiciprilatum, Zabiciprilat, Zabiciprilate [INN-French], Zabiciprilatum [INN-Latin], UNII-0A2D355316, CID65680, S 10211, (S)-2-((S)-N-((S)-1-Carboxy-3-phenylpropyl)alanyl)-2-azabicyclo(2.2.2)octane-3-carboxylic acid, 90103-92-7
IUPAC Name
(2S)-3-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3-azabicyclo[2.2.2]octane-2-carboxylic acid
InChI Key
HBZJVGFXZTUXNI-XMQLQKOFSA-N
Boiling Point
632.2ºC at 760mmHg
Flash Point
336.2ºC
Density
1.273g/cm³
Exact Mass
388.20000
H-Bond Acceptor
6
H-Bond Donor
3
What is the molecular formula of zabiciprilat?
The molecular formula of zabiciprilat is C21H28N2O5.
What is the molecular weight of zabiciprilat?
The molecular weight of zabiciprilat is 388.5 g/mol.
What is the IUPAC name of zabiciprilat?
The IUPAC name of zabiciprilat is (3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-2-azabicyclo[2.2.2]octane-3-carboxylic acid.
What is the InChI of zabiciprilat?
The InChI of zabiciprilat is InChI=1S/C21H28N2O5/c1-13(22-17(20(25)26)12-7-14-5-3-2-4-6-14)19(24)23-16-10-8-15(9-11-16)18(23)21(27)28/h2-6,13,15-18,22H,7-12H2,1H3,(H,25,26)(H,27,28)/t13-,15?,16?,17-,18-/m0/s1.
What is the InChIKey of zabiciprilat?
The InChIKey of zabiciprilat is HBZJVGFXZTUXNI-XMQLQKOFSA-N.
How many hydrogen bond donor counts does zabiciprilat have?
Zabiciprilat has 3 hydrogen bond donor counts.
What is the XLogP3 value of zabiciprilat?
The XLogP3 value of zabiciprilat is 0.7.
How many hydrogen bond acceptor counts does zabiciprilat have?
Zabiciprilat has 6 hydrogen bond acceptor counts.
How many rotatable bond counts does zabiciprilat have?
Zabiciprilat has 8 rotatable bond counts.
What is the topological polar surface area of zabiciprilat?
The topological polar surface area of zabiciprilat is 107.2.
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CAS
90102-86-6 Purity
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90102-86-6 Purity
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