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213135-53-6 | (3S,4AS,8AS)-2-CARBOBENZYLOXY-DECAHYDRO-N-(2-HYDROXY-1,1-DIMETHYLETHYL)-3-ISOQUINOLINECARBOXAMIDE
CAS No: 213135-53-6 Catalog No: AG00C39V MDL No:
Product Description
Catalog Number:
AG00C39V
Chemical Name:
(3S,4AS,8AS)-2-CARBOBENZYLOXY-DECAHYDRO-N-(2-HYDROXY-1,1-DIMETHYLETHYL)-3-ISOQUINOLINECARBOXAMIDE
CAS Number:
213135-53-6
IUPAC Name:
benzyl (3S,4aS,8aS)-3-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
InChI:
InChI=1S/C22H32N2O4/c1-22(2,15-25)23-20(26)19-12-17-10-6-7-11-18(17)13-24(19)21(27)28-14-16-8-4-3-5-9-16/h3-5,8-9,17-19,25H,6-7,10-15H2,1-2H3,(H,23,26)/t17-,18+,19-/m0/s1
InChI Key:
WKOZSXWYEUSEFS-OTWHNJEPSA-N
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
388.236g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
388.508g/mol
Monoisotopic Mass:
388.236g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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