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ACTIVE PHARMA INGREDIENTS

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Also known as: 27348-32-9, L-lysine l-aspartate, L-lysine-l-aspartate, (s)-2,6-diaminohexanoic acid compound with (s)-2-aminosuccinic acid (1:1), L-aspartic acid, compound with l-lysine (1:1), L-aspartic acid, polymer with l-lysine

Molecular Formula

C₁₀H₂₁N₃O₆

Molecular Weight

279.29 g/mol

InChI Key

CPYVQXAASIFAMD-KNIFDHDWSA-N

FDA UNII

23227F83U0

1 2D Structure

L-Lysine L-Aspartate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-aminobutanedioic acid;(2S)-2,6-diaminohexanoic acid

2.1.2 InChI

InChI=1S/C6H14N2O2.C4H7NO4/c7-4-2-1-3-5(8)6(9)10;5-2(4(8)9)1-3(6)7/h5H,1-4,7-8H2,(H,9,10);2H,1,5H2,(H,6,7)(H,8,9)/t5-;2-/m00/s1

2.1.3 InChI Key

CPYVQXAASIFAMD-KNIFDHDWSA-N

2.1.4 Canonical SMILES

C(CCN)CC(C(=O)O)N.C(C(C(=O)O)N)C(=O)O

2.1.5 Isomeric SMILES

C(CCN)C[C@@H](C(=O)O)N.C([C@@H](C(=O)O)N)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

23227F83U0

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 27348-32-9

2. L-lysine L-aspartate

3. L-lysine-l-aspartate

4. (s)-2,6-diaminohexanoic Acid Compound With (s)-2-aminosuccinic Acid (1:1)

5. L-aspartic Acid, Compound With L-lysine (1:1)

6. L-aspartic Acid, Polymer With L-lysine

7. 23227f83u0

8. L-lysine Aspartate

9. 33218-32-5

10. Unii-23227f83u0

11. Einecs 248-423-1

12. L-aspartic Acid, Compd. With L-lysine (1:1)

13. Schembl1425217

14. Lysine Aspartate [inci]

15. Lysine L-aspartate, L-

16. Dtxsid80181785

17. Amy25343

18. Mfcd00058085

19. Akos015901956

20. L-lysine, L-aspartate (1:1)

21. Bs-32204

22. L-aspartic Acid, Compd. With L-lysine (1:1)other Ca Index Names:l-lysine, L-aspartate (1:1)

23. Lysine, L-, L-aspartate (1:1)

24. F10821

25. L-aspartic Acid Compound With L-lysine (1:1)

26. 348l329

27. A876962

28. L-lysine-l-aspartate (h-l-lys-oh.h-l-asp-oh)

29. Q-201314

30. Q27253704

31. (2s)-2-aminobutanedioic Acid,(2s)-2,6-diaminohexanoic Acid

32. (2s)-2-aminobutanedioic Acid;(2s)-2,6-diaminohexanoic Acid

33. (s)-2,6-diaminohexanoic Acid (s)-2-aminosuccinic Acid Salt

34. (s)-2,6-diaminohexanoicacidcompoundwith(s)-2-aminosuccinicacid(1:1)

2.4 Create Date

2007-12-06

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₂₁N₃O₆
Molecular Weight	279.29 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	279.14303540 g/mol
Monoisotopic Mass	279.14303540 g/mol
Topological Polar Surface Area	190 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	239
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2