Cas no 111245-28-4 (L-Aspartic acid,L-seryl-L-lysyl-)

L-Aspartic acid,L-seryl-L-lysyl- structure
111245-28-4 structure
Product Name:L-Aspartic acid,L-seryl-L-lysyl-
CAS No:111245-28-4
MF:C13H24N4O7
MW:348.352263450623
CID:152924
PubChem ID:196643
Update Time:2025-04-19

L-Aspartic acid,L-seryl-L-lysyl- Chemical and Physical Properties

Names and Identifiers

    • L-Aspartic acid,L-seryl-L-lysyl-
    • seryl-lysyl-aspartic acid
    • L-seryl-L-lysyl-L-aspartic acid
    • Ser-lys-asp
    • Skd tripeptide
    • DTXSID10912069
    • N-{6-Amino-2-[(2-amino-1,3-dihydroxypropylidene)amino]-1-hydroxyhexylidene}aspartic acid
    • CHEBI:163262
    • (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]hexanoyl]amino]butanedioic acid
    • 111245-28-4
    • Inchi: 1S/C13H24N4O7/c14-4-2-1-3-8(16-11(21)7(15)6-18)12(22)17-9(13(23)24)5-10(19)20/h7-9,18H,1-6,14-15H2,(H,16,21)(H,17,22)(H,19,20)(H,23,24)/t7-,8-,9-/m0/s1
    • InChI Key: PPNPDKGQRFSCAC-CIUDSAMLSA-N
    • SMILES: O=C([C@H](CCCCN)NC([C@H](CO)N)=O)N[C@H](C(=O)O)CC(=O)O

Computed Properties

  • Exact Mass: 348.16462
  • Monoisotopic Mass: 348.164
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 12
  • Complexity: 458
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _8.1
  • Topological Polar Surface Area: 205?2

Experimental Properties

  • Density: 1.392
  • Boiling Point: 757.3°C at 760 mmHg
  • Flash Point: 411.8°C
  • Refractive Index: 1.561
  • PSA: 205.07
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