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Substance Name: Pepstatyl, asp-arg-
RN: 80318-70-3
InChIKey: KBDBINPXVCZZAB-GEVZPSLFSA-N

Note

  • Formed from coupling of C-terminus of natural pentapeptide with L-aspertyl-L-arginine; statine is (3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid.

Molecular Weight

  • 1182.42
 
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Names and Synonyms

Name of Substance

  • Pepstatyl, asp-arg-

Synonyms

  • Asp-arg-pepstatyl
  • Isovaleryl-valyl-valyl-statyl-alanylstatyl-aspartic acid-arginine
  • Isovaleryl-valyl-valylstatyl-ala-statyl-asp-arg
  • Pepstatyl, aspartyl-arginine-

Systematic Name

  • Pepstatin A, 5a-L-aspartic acid-5b-(N5-(imino(nitroamino)methyl)-L-ornithine)-, bis(phenylmethyl) ester

Registry Numbers

CAS Registry Number

  • 80318-70-3

System Generated Number

  • 0080318703

Structure Descriptors

InChI

1S/C58H91N11O15/c1-33(2)25-42(64-53(76)38(11)61-48(73)29-45(70)43(26-34(3)4)65-55(78)52(37(9)10)67-56(79)51(36(7)8)66-47(72)27-35(5)6)46(71)30-49(74)62-44(28-50(75)83-31-39-19-14-12-15-20-39)54(77)63-41(23-18-24-60-58(59)68-69(81)82)57(80)84-32-40-21-16-13-17-22-40/h12-17,19-22,33-38,41-46,51-52,70-71H,18,23-32H2,1-11H3,(H,61,73)(H,62,74)(H,63,77)(H,64,76)(H,65,78)(H,66,72)(H,67,79)(H3,59,60,68)/t38?,41-,42?,43?,44-,45?,46?,51-,52-/m0/s1

InChIKey

KBDBINPXVCZZAB-GEVZPSLFSA-N

Smiles

C([C@@H](NC([C@@H](NC(C[C@@H]([C@@H](CC(C)C)NC([C@@H](C)NC(C[C@@H]([C@@H](CC(C)C)NC([C@@H](NC([C@@H](NC(CC(C)C)=O)C(C)C)=O)C(C)C)=O)O)=O)=O)O)=O)CC(=O)OCc1ccccc1)=O)CCCNC(N[N+](=O)[O-])=N)(=O)OCc1ccccc1