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80151-98-0 | heyneanine hydroxyindolenine
CAS No: 80151-98-0 Catalog No: AG00GD7C MDL No:
Product Description
Catalog Number:
AG00GD7C
Chemical Name:
heyneanine hydroxyindolenine
CAS Number:
80151-98-0
IUPAC Name:
methyl (1S,10R,15R,17R,18S)-10-hydroxy-17-[(1S)-1-hydroxyethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4,6,8-tetraene-1-carboxylate
InChI:
InChI=1S/C21H26N2O4/c1-12(24)14-9-13-10-20(19(25)27-2)17(14)23(11-13)8-7-21(26)15-5-3-4-6-16(15)22-18(20)21/h3-6,12-14,17,24,26H,7-11H2,1-2H3/t12-,13+,14-,17-,20-,21+/m0/s1
InChI Key:
BPKMKKDJAWRIOB-ZOHLKMAYSA-N
Properties
Complexity:
681
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
370.189g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.449g/mol
Monoisotopic Mass:
370.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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