Cas no 58663-77-7 (1-(tert-butoxycarbonyl)-L-prolyl-L-prolyl-beta-alanine)

1-(tert-butoxycarbonyl)-L-prolyl-L-prolyl-beta-alanine structure
58663-77-7 structure
Product Name:1-(tert-butoxycarbonyl)-L-prolyl-L-prolyl-beta-alanine
CAS No:58663-77-7
MF:C18H29N3O6
MW:383.439365148544
CID:1612027
PubChem ID:194708
Update Time:2025-04-21

1-(tert-butoxycarbonyl)-L-prolyl-L-prolyl-beta-alanine Chemical and Physical Properties

Names and Identifiers

    • 1-(tert-butoxycarbonyl)-L-prolyl-L-prolyl-beta-alanine
    • 58663-77-7
    • 3-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]propanoic acid
    • 3-[[[(2S)-1-[[(2S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid
    • beta-Alanine, N-(1-(1-((1,1-dimethylethoxy)carbonyl)-L-prolyl)-L-prolyl)-
    • DTXSID70974204
    • Citrocarbonate
    • A834983
    • N-[{1-[1-(tert-Butoxycarbonyl)prolyl]pyrrolidin-2-yl}(hydroxy)methylidene]-beta-alanine
    • Inchi： 1S/C18H29N3O6/c1-18(2,3)27-17(26)21-11-5-7-13(21)16(25)20-10-4-6-12(20)15(24)19-9-8-14(22)23/h12-13H,4-11H2,1-3H3,(H,19,24)(H,22,23)/t12-,13-/m0/s1
    • InChI Key： QBMVLWIYHYZWSI-STQMWFEESA-N
    • SMILES： O=C([C@@H]1CCCN1C(=O)OC(C)(C)C)N1CCC[C@H]1C(NCCC(=O)O)=O

Computed Properties

  • Exact Mass: 383.20577
  • Monoisotopic Mass: 383.20563565g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 7
  • Complexity: 600
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 116?2

Experimental Properties

  • PSA: 116.25

1-(tert-butoxycarbonyl)-L-prolyl-L-prolyl-beta-alanine Related Literature

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