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20556-11-0 | L-Valine, L-lysyl-
CAS No: 20556-11-0 Catalog No: AG002A6N MDL No:
Product Description
Catalog Number:
AG002A6N
Chemical Name:
L-Valine, L-lysyl-
CAS Number:
20556-11-0
Molecular Formula:
C11H23N3O3
Molecular Weight:
245.3186
IUPAC Name:
(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C11H23N3O3/c1-7(2)9(11(16)17)14-10(15)8(13)5-3-4-6-12/h7-9H,3-6,12-13H2,1-2H3,(H,14,15)(H,16,17)/t8-,9-/m0/s1
InChI Key:
YQAIUOWPSUOINN-IUCAKERBSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)N
UNII:
ZB4A1U383X
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
245.174g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
245.323g/mol
Monoisotopic Mass:
245.174g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6
Literature
| Title | Journal |
|---|---|
| Human PEPT1 pharmacophore distinguishes between dipeptide transport and binding. | Journal of medicinal chemistry 20060615 |
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