Cas no 10145-97-8 (D-Alanine, N-[N-[N-(N-L-alanyl-L-alanyl)-L-alanyl]-L-alanyl]-)

D-Alanine, N-[N-[N-(N-L-alanyl-L-alanyl)-L-alanyl]-L-alanyl]- structure
10145-97-8 structure
Product Name:D-Alanine, N-[N-[N-(N-L-alanyl-L-alanyl)-L-alanyl]-L-alanyl]-
CAS No:10145-97-8
MF:C15H27N5O6
MW:373.40478348732
CID:1129276
PubChem ID:71352835
Update Time:2025-04-20

D-Alanine, N-[N-[N-(N-L-alanyl-L-alanyl)-L-alanyl]-L-alanyl]- Chemical and Physical Properties

Names and Identifiers

    • D-Alanine, N-[N-[N-(N-L-alanyl-L-alanyl)-L-alanyl]-L-alanyl]-
    • (2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
    • D-Alanine, L-alanyl-L-alanyl-L-alanyl-L-alanyl-
    • DTXSID00777624
    • L-Alanyl-L-alanyl-L-alanyl-L-alanyl-D-alanine
    • 10145-97-8
    • Inchi: 1S/C15H27N5O6/c1-6(16)11(21)17-7(2)12(22)18-8(3)13(23)19-9(4)14(24)20-10(5)15(25)26/h6-10H,16H2,1-5H3,(H,17,21)(H,18,22)(H,19,23)(H,20,24)(H,25,26)/t6-,7-,8-,9-,10+/m0/s1
    • InChI Key: XXAUOPDVAKGRPR-BQHMLIOBSA-N
    • SMILES: O=C([C@H](C)NC([C@H](C)NC([C@H](C)N)=O)=O)N[C@@H](C)C(N[C@@H](C(=O)O)C)=O

Computed Properties

  • Exact Mass: 373.19631
  • Monoisotopic Mass: 373.19613360g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 9
  • Complexity: 567
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4
  • Topological Polar Surface Area: 180?2

Experimental Properties

  • PSA: 179.72
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