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20556-13-2 | L-Isoleucine, L-lysyl-
CAS No: 20556-13-2 Catalog No: AG002A6M MDL No:
Product Description
Catalog Number:
AG002A6M
Chemical Name:
L-Isoleucine, L-lysyl-
CAS Number:
20556-13-2
Molecular Formula:
C12H25N3O3
Molecular Weight:
259.3452
IUPAC Name:
(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylpentanoic acid
InChI:
InChI=1S/C12H25N3O3/c1-3-8(2)10(12(17)18)15-11(16)9(14)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t8-,9-,10-/m0/s1
InChI Key:
FMIIKPHLJKUXGE-GUBZILKMSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)N
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
259.19g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
259.35g/mol
Monoisotopic Mass:
259.19g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
Literature
| Title | Journal |
|---|---|
| Comparison of kinetic characteristics of amino acid-based and dipeptide-based peritoneal dialysis solutions. | The International journal of artificial organs 20060701 |
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