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112242-36-1 | N-[2-(4-hydroxy-3-iodo-phenyl)ethyl]-5-[(1S,2S,5R)-7-oxo-3-thia-6,8-di azabicyclo[3.3.0]oct-2-yl]pentanamide
CAS No: 112242-36-1 Catalog No: AG009UDM MDL No:
Product Description
Catalog Number:
AG009UDM
Chemical Name:
N-[2-(4-hydroxy-3-iodo-phenyl)ethyl]-5-[(1S,2S,5R)-7-oxo-3-thia-6,8-di azabicyclo[3.3.0]oct-2-yl]pentanamide
CAS Number:
112242-36-1
IUPAC Name:
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(4-hydroxy-3-(125I)iodanylphenyl)ethyl]pentanamide
InChI:
InChI=1S/C18H24IN3O3S/c19-12-9-11(5-6-14(12)23)7-8-20-16(24)4-2-1-3-15-17-13(10-26-15)21-18(25)22-17/h5-6,9,13,15,17,23H,1-4,7-8,10H2,(H,20,24)(H2,21,22,25)/t13-,15-,17-/m0/s1/i19-2
InChI Key:
VUSGDMJLYUSDDM-LVCSBNNFSA-N
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
487.058g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
1
Molecular Weight:
487.373g/mol
Monoisotopic Mass:
487.058g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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