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Substance Name: Casomorphin, trp(3)-
RN: 134406-64-7
InChIKey: PRQYYQIJLHOBDO-MNUOIFNESA-N

Molecular Formula

  • C32-H38-N6-O7

Molecular Weight

  • 618.687
 
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Names and Synonyms

Name of Substance

  • Casomorphin, trp(3)-

Synonyms

  • Casomorphin, tryptophyl(3)-
  • Trp(3)-casomorphin
  • Tyr-pro-trp-pro-gly-OH
  • Tyrosyl-prolyl-tryptophyl-prolyl-glycine-OH

Systematic Name

  • Glycine, N-(1-(N-(1-L-tyrosyl-L-prolyl)-L-tryptophyl)-L-prolyl)-

Registry Numbers

CAS Registry Number

  • 134406-64-7

System Generated Number

  • 0134406647

Structure Descriptors

InChI

1S/C32H38N6O7/c33-23(15-19-9-11-21(39)12-10-19)31(44)37-13-4-8-27(37)30(43)36-25(16-20-17-34-24-6-2-1-5-22(20)24)32(45)38-14-3-7-26(38)29(42)35-18-28(40)41/h1-2,5-6,9-12,17,23,25-27,34,39H,3-4,7-8,13-16,18,33H2,(H,35,42)(H,36,43)(H,40,41)/t23-,25-,26-,27-/m0/s1

InChIKey

PRQYYQIJLHOBDO-MNUOIFNESA-N

Smiles

C(CNC([C@H]1N(CCC1)C([C@@H](NC([C@H]1N(CCC1)C([C@@H](N)Cc1ccc(O)cc1)=O)=O)Cc1c[nH]c2ccccc12)=O)=O)(=O)O