Pyrazinecarboxamide,N-[(1S)-2-[[(1R)-1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-


Chemical Name: Pyrazinecarboxamide,N-[(1S)-2-[[(1R)-1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-
CAS Number: 205393-22-2
Product Number: AG00C2BY(AGN-PC-0QV9Q8)
Synonyms:
MDL No:
Molecular Formula: C29H39BN4O4
Molecular Weight: 518.4554

Identification/Properties


Computed Properties
Molecular Weight:
518.465g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
9
Exact Mass:
518.306g/mol
Monoisotopic Mass:
518.306g/mol
Topological Polar Surface Area:
102A^2
Heavy Atom Count:
38
Formal Charge:
0
Complexity:
866
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
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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