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Substance Name: Pepstatyl, glu-
RN: 70706-87-5
InChIKey: NCNMAQIABHEEEJ-NBAVGXPRSA-N

Note

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

Molecular Weight

  • 815.012
 
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Names and Synonyms

Name of Substance

  • Pepstatyl, glu-

Synonyms

  • Glu-pepstatyl
  • Iso-valeryl-valyl-valyl-statyl-ala-statyl-glu
  • Isovaleryl-valyl-valylstatyl-alanyl-statyl-glutamic acid
  • Pepstatyl, glutamic acid

Systematic Name

  • Pepstatin A, 5a-L-glutamic acid-

Registry Numbers

CAS Registry Number

  • 70706-87-5

System Generated Number

  • 0070706875

Structure Descriptors

InChI

1S/C39H70N6O12/c1-19(2)14-25(41)27(46)17-30(49)45(31(50)18-28(47)26(42)15-20(3)4)39(13-12-32(51)52,38(56)57-37(55)24(11)40)35(53)33(22(7)8)44-36(54)34(23(9)10)43-29(48)16-21(5)6/h19-28,33-34,46-47H,12-18,40-42H2,1-11H3,(H,43,48)(H,44,54)(H,51,52)/t24-,25-,26?,27-,28?,33-,34-,39+/m0/s1

InChIKey

NCNMAQIABHEEEJ-NBAVGXPRSA-N

Smiles

C([C@@](N(C(C[C@@H]([C@H](CC(C)C)N)O)=O)C(C[C@@H]([C@@H](CC(C)C)N)O)=O)(CCC(=O)O)C([C@@H](NC([C@@H](NC(CC(C)C)=O)C(C)C)=O)C(C)C)=O)(=O)OC([C@@H](N)C)=O