3-Isoquinolinecarboxylic acid,2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, (3S)-


Chemical Name: 3-Isoquinolinecarboxylic acid,2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, (3S)-
CAS Number: 103775-14-0
Product Number: AG008WUM(AGN-PC-0OSLB4)
Synonyms:
MDL No: MFCD08063675
Molecular Formula: C25H30N2O7
Molecular Weight: 470.5149

Identification/Properties


Computed Properties
Molecular Weight:
470.522g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
10
Exact Mass:
470.205g/mol
Monoisotopic Mass:
470.205g/mol
Topological Polar Surface Area:
125A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
711
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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