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80115-54-4 | 6-(N-glutarylphenylalanylamido)quinoline
CAS No: 80115-54-4 Catalog No: AG00GJ69 MDL No:
Product Description
Catalog Number:
AG00GJ69
Chemical Name:
6-(N-glutarylphenylalanylamido)quinoline
CAS Number:
80115-54-4
IUPAC Name:
5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(quinolin-6-ylamino)propan-2-yl]amino]pentanoic acid
InChI:
InChI=1S/C23H23N3O4/c27-21(9-4-10-22(28)29)26-20(14-16-6-2-1-3-7-16)23(30)25-18-11-12-19-17(15-18)8-5-13-24-19/h1-3,5-8,11-13,15,20H,4,9-10,14H2,(H,25,30)(H,26,27)(H,28,29)/t20-/m0/s1
InChI Key:
MSXUQDFLWOHEIZ-FQEVSTJZSA-N
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
405.169g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
405.454g/mol
Monoisotopic Mass:
405.169g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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