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142489-47-2 | D-Glutamic acid,N-[2-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]acetyl]-L-alanyl-
CAS No: 142489-47-2 Catalog No: AG007L3Q MDL No:
Product Description
Catalog Number:
AG007L3Q
Chemical Name:
D-Glutamic acid,N-[2-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]acetyl]-L-alanyl-
CAS Number:
142489-47-2
Molecular Formula:
C20H23N3O9
Molecular Weight:
449.4113
IUPAC Name:
(2R)-2-[[(2S)-2-[[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]acetyl]amino]propanoyl]amino]pentanedioic acid
InChI:
InChI=1S/C20H23N3O9/c1-11(17(27)22-14(20(30)31)6-7-16(25)26)21-15(24)10-32-9-8-23-18(28)12-4-2-3-5-13(12)19(23)29/h2-5,11,14H,6-10H2,1H3,(H,21,24)(H,22,27)(H,25,26)(H,30,31)/t11-,14+/m0/s1
InChI Key:
FDNPKSCZFOAEDF-SMDDNHRTSA-N
SMILES:
O=C(N[C@H](C(=O)N[C@@H](C(=O)O)CCC(=O)O)C)COCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
745
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
449.143g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
449.416g/mol
Monoisotopic Mass:
449.143g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Enhanced therapeutic effect of LK-423 in treating experimentally induced colitis in rats when administered in colon delivery microcapsules. | Journal of microencapsulation 20100101 |
| Physicochemical and preclinical pharmacokinetic and toxicological evaluation of LK-423--a new phthalimido-desmuramyl-dipeptide derivative with immunomodulating activity. | Drug development and industrial pharmacy 20091101 |
| Shape optimization and characterization of polysaccharide beads prepared by ionotropic gelation. | Journal of microencapsulation 20080301 |
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