Cas no 5447-62-1 (L-Leucine, N,N'-(1,2-dioxo-1,2-ethanediyl)bis-)

L-Leucine, N,N'-(1,2-dioxo-1,2-ethanediyl)bis- structure
5447-62-1 structure
Product Name:L-Leucine, N,N'-(1,2-dioxo-1,2-ethanediyl)bis-
CAS No:5447-62-1
MF:C14H24N2O6
MW:316.350164413452
CID:354479
PubChem ID:1551693
Update Time:2025-04-19

L-Leucine, N,N'-(1,2-dioxo-1,2-ethanediyl)bis- Chemical and Physical Properties

Names and Identifiers

    • L-Leucine, N,N'-(1,2-dioxo-1,2-ethanediyl)bis-
    • (2S)-2-[[2-[[(1S)-1-carboxy-3-methylbutyl]amino]-2-oxoacetyl]amino]-4-methylpentanoic acid
    • 5447-62-1
    • DTXSID50364366
    • SCHEMBL13785341
    • Inchi: 1S/C14H24N2O6/c1-7(2)5-9(13(19)20)15-11(17)12(18)16-10(14(21)22)6-8(3)4/h7-10H,5-6H2,1-4H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/t9-,10-/m0/s1
    • InChI Key: NLBWWURQVQBCBC-UWVGGRQHSA-N
    • SMILES: OC([C@H](CC(C)C)NC(C(N[C@H](C(=O)O)CC(C)C)=O)=O)=O

Computed Properties

  • Exact Mass: 316.16352
  • Monoisotopic Mass: 316.163
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 8
  • Complexity: 393
  • 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: 1.9
  • Topological Polar Surface Area: 133?2

Experimental Properties

  • PSA: 132.8
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