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53098-67-2 | Nα-L-Valyl-N1-[1-(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolin-1-yl)ethyl]glycinamide
CAS No: 53098-67-2 Catalog No: AG00E2YQ MDL No:
Product Description
Catalog Number:
AG00E2YQ
Chemical Name:
Nα-L-Valyl-N1-[1-(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolin-1-yl)ethyl]glycinamide
CAS Number:
53098-67-2
IUPAC Name:
(2S)-2-amino-N-[2-[1-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide
InChI:
InChI=1S/C21H34N4O4/c1-12(2)19(22)21(27)23-11-18(26)24-13(3)20-15-10-17(29-6)16(28-5)9-14(15)7-8-25(20)4/h9-10,12-13,19-20H,7-8,11,22H2,1-6H3,(H,23,27)(H,24,26)/t13?,19-,20?/m0/s1
InChI Key:
WZFBAZHBMOAWPY-BEAMIBIHSA-N
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
406.258g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
406.527g/mol
Monoisotopic Mass:
406.258g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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