Carbocysteine Lysine

Synopsis, Chemistry

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Also known as: 49673-81-6, (r)-2-amino-3-((carboxymethyl)thio)propanoic acid (s)-2,6-diaminohexanoic acid (1:1), (r)-2-amino-3-((carboxymethyl)thio)propanoic acid compound with (s)-2,6-diaminohexanoic acid (1:1), 1d1y95pxxa, L-lysine, compound with s-(carboxymethyl)-l-cysteine (1:1), (2r)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;(2s)-2,6-diaminohexanoic acid

Molecular Formula

C₁₁H₂₃N₃O₆S

Molecular Weight

325.38 g/mol

InChI Key

SAGXGPWVLUSDSQ-RVZXSAGBSA-N

FDA UNII

1D1Y95PXXA

1 2D Structure

Carbocysteine Lysine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;(2S)-2,6-diaminohexanoic acid

2.1.2 InChI

InChI=1S/C6H14N2O2.C5H9NO4S/c7-4-2-1-3-5(8)6(9)10;6-3(5(9)10)1-11-2-4(7)8/h5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t5-;3-/m00/s1

2.1.3 InChI Key

SAGXGPWVLUSDSQ-RVZXSAGBSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

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

2.2 Other Identifiers

2.2.1 UNII

1D1Y95PXXA

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Carbocysteine-lysine

2. S-carboxymethylcysteine-lys

3. Scmc-lys

2.3.2 Depositor-Supplied Synonyms

1. 49673-81-6

2. (r)-2-amino-3-((carboxymethyl)thio)propanoic Acid (s)-2,6-diaminohexanoic Acid (1:1)

3. (r)-2-amino-3-((carboxymethyl)thio)propanoic Acid Compound With (s)-2,6-diaminohexanoic Acid (1:1)

4. 1d1y95pxxa

5. L-lysine, Compound With S-(carboxymethyl)-l-cysteine (1:1)

6. (2r)-2-amino-3-(carboxymethylsulfanyl)propanoic Acid;(2s)-2,6-diaminohexanoic Acid

7. (r)-2-amino-3-((carboxymethyl)thio)propanoic Acid,(s)-2,6-diaminohexanoic Acid

8. Unii-1d1y95pxxa

9. Einecs 256-425-9

10. Carbocisteine Lysine

11. Lysine Carbocysteinate

12. Schembl677472

13. Dtxsid60964336

14. Amy25318

15. Carbocisteine Lysine [mart.]

16. Carbocisteine Lysine [who-dd]

17. Lysine Carboxymethyl Cysteinate

18. Akos015907751

19. S-(carboxymethyl)cysteine--lysine (1/1)

20. Lysine Carboxymethyl Cysteinate [inci]

21. A827792

22. Q27252258

23. L-lysine, Compd. With S-(carboxymethyl)-l-cysteine (1:1)

24. 2-amino-3-(carboxymethylsulfanyl)propanoic Acid; 2,6-diaminohexanoic Acid

2.4 Create Date

2006-04-29

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₂₃N₃O₆S
Molecular Weight	325.38 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Exact Mass	325.13075664 g/mol
Monoisotopic Mass	325.13075664 g/mol
Topological Polar Surface Area	215 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	267
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