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Quinaprilat

CAS No.:
82768-85-2
Catalog Number:
AG004XSQ
Molecular Formula:
C23H26N2O5
Molecular Weight:
410.4629
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Product Description
Catalog Number:
AG004XSQ
Chemical Name:
Quinaprilat
CAS Number:
82768-85-2
Molecular Formula:
C23H26N2O5
Molecular Weight:
410.4629
MDL Number:
MFCD08060097
IUPAC Name:
(3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
InChI:
InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1
InChI Key:
FLSLEGPOVLMJMN-YSSFQJQWSA-N
SMILES:
OC(=O)C(NC(C(=O)N1Cc2ccccc2CC1C(=O)O)C)CCc1ccccc1
UNII:
34SSX5LDE5
NSC Number:
759825
Properties
Complexity:
619  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
410.184g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
410.47g/mol
Monoisotopic Mass:
410.184g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
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Properties