Cas no 67223-73-8 (tert-butyloxycarbonyl-lysyl-alanyl-alanine)

tert-butyloxycarbonyl-lysyl-alanyl-alanine structure
67223-73-8 structure
Product Name:tert-butyloxycarbonyl-lysyl-alanyl-alanine
CAS No:67223-73-8
MF:C17H32N4O6
MW:388.459184646606
CID:965558
PubChem ID:5487156
Update Time:2025-04-19

tert-butyloxycarbonyl-lysyl-alanyl-alanine Chemical and Physical Properties

Names and Identifiers

    • tert-butyloxycarbonyl-lysyl-alanyl-alanine
    • D-Alanine, N-(N-(N2-((1,1-dimethylethoxy)carbonyl)-L-lysyl)-D-alanyl)-
    • N-{2-[(6-Amino-2-{[tert-butoxy(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-1-hydroxypropylidene}alanine
    • t-Boc-lys-ala-ala
    • 67223-73-8
    • DTXSID30986328
    • Inchi: 1S/C17H32N4O6/c1-10(13(22)20-11(2)15(24)25)19-14(23)12(8-6-7-9-18)21-16(26)27-17(3,4)5/h10-12H,6-9,18H2,1-5H3,(H,19,23)(H,20,22)(H,21,26)(H,24,25)/t10-,11-,12+/m1/s1
    • InChI Key: YQYPUXOSVICIIR-UTUOFQBUSA-N
    • SMILES: O(C(N[C@H](C(N[C@H](C)C(N[C@@H](C(=O)O)C)=O)=O)CCCCN)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 388.23236
  • Monoisotopic Mass: 388.232185
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 12
  • Complexity: 532
  • 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
  • Topological Polar Surface Area: 160
  • XLogP3: -2.1

Experimental Properties

  • Density: 1.167
  • Boiling Point: 684.8°C at 760 mmHg
  • Flash Point: 368°C
  • Refractive Index: 1.502
  • PSA: 159.85
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