N-Acetyl-L-alpha-aspartyl-L-asparaginyl-N-[(2S)-1-carboxy-3-oxo-2-propanyl]-L-leucinamide | CAS No. 775289-20-8

N-Acetyl-L-alpha-aspartyl-L-asparaginyl-N-[(2S)-1-carboxy-3-oxo-2-propanyl]-L-leucinamide

Basic Information

CAS Number

775289-20-8

Molecular Formula

C20H31N5O10

Molecular Weight

501.49 g/mol

AD

Basic Physical Properties

O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C=O)CC(=O)O)CC(C)C)CC(=O)N)CC(=O)O)C

InChI

InChI=1S/C20H31N5O10/c1-9(2)4-12(18(33)23-11(8-26)5-16(29)30)24-19(34)13(6-15(21)28)25-20(35)14(7-17(31)32)22-10(3)27/h8-9,11-14H,4-7H2,1-3H3,(H2,21,28)(H,22,27)(H,23,33)(H,24,34)(H,25,35)(H,29,30)(H,31,32)/t11-,12-,13-,14-/m0/s1

InChIKey

XZGUQURUQBIHMG-XUXIUFHCSA-N

LogP

-2.984699999999993

Topological Polar Surface Area

251.15999999999997 Ų

Hydrogen Bond Donor/Acceptor

8 / 15

Complexity

844

Synonyms & References

English

  • 7 Inhibitor II
  • Caspase-3
  • Ac-DNLD-CHO
  • Caspase-3/7 Inhibitor II
  • N-acetyl-Asp-Asn-Leu-Asp-aldehyde

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