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    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
    Carbocysteine Lysine
    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 Weight 325.38 g/mol
    Molecular Formula C11H23N3O6S
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count10
    Exact Mass325.13075664 g/mol
    Monoisotopic Mass325.13075664 g/mol
    Topological Polar Surface Area215 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity267
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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