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136465-98-0 | L-Asparagine, N2-(2-quinolinylcarbonyl)-
CAS No: 136465-98-0 Catalog No: AG0011VM MDL No:
Product Description
Catalog Number:
AG0011VM
Chemical Name:
L-Asparagine, N2-(2-quinolinylcarbonyl)-
CAS Number:
136465-98-0
Molecular Formula:
C14H13N3O4
Molecular Weight:
287.2707
IUPAC Name:
(2S)-4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoic acid
InChI:
InChI=1S/C14H13N3O4/c15-12(18)7-11(14(20)21)17-13(19)10-6-5-8-3-1-2-4-9(8)16-10/h1-6,11H,7H2,(H2,15,18)(H,17,19)(H,20,21)/t11-/m0/s1
InChI Key:
VSHYTRKWRSIOEV-NSHDSACASA-N
SMILES:
NC(=O)C[C@@H](C(=O)O)NC(=O)c1ccc2c(n1)cccc2
EC Number:
603-965-1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
287.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
287.275g/mol
Monoisotopic Mass:
287.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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