Cas no 798540-39-3 (L-Lysine, L-methionyl-L-alanyl-L-alanyl-)

L-Lysine, L-methionyl-L-alanyl-L-alanyl- structure
798540-39-3 structure
Product Name:L-Lysine, L-methionyl-L-alanyl-L-alanyl-
CAS No:798540-39-3
MF:C17H33N5O5S
MW:419.539422750473
CID:531844
PubChem ID:71402608
Update Time:2025-04-19

L-Lysine, L-methionyl-L-alanyl-L-alanyl- Chemical and Physical Properties

Names and Identifiers

    • L-Lysine, L-methionyl-L-alanyl-L-alanyl-
    • (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoic acid
    • L-Methionyl-L-alanyl-L-alanyl-L-lysine
    • 798540-39-3
    • DTXSID90823568
    • Inchi: 1S/C17H33N5O5S/c1-10(21-16(25)12(19)7-9-28-3)14(23)20-11(2)15(24)22-13(17(26)27)6-4-5-8-18/h10-13H,4-9,18-19H2,1-3H3,(H,20,23)(H,21,25)(H,22,24)(H,26,27)/t10-,11-,12-,13-/m0/s1
    • InChI Key: ZVYPMFAVICUWHT-CYDGBPFRSA-N
    • SMILES: S(C)CC[C@@H](C(N[C@@H](C)C(N[C@@H](C)C(N[C@H](C(=O)O)CCCCN)=O)=O)=O)N

Computed Properties

  • Exact Mass: 419.22024034g/mol
  • Monoisotopic Mass: 419.22024034g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 14
  • Complexity: 534
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.9
  • Topological Polar Surface Area: 202?2
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