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Substance Name: N-Ac-(4-Cl-Phe)(1)-(4-Cl-Phe)(2)-Trp(3)-Lys(6)-AlaNH2(10)-LHRH
RN: 81608-55-1
InChIKey: PNUSPKPSAJBVMN-INWWMVJCSA-N

Note

  • Gonadorelin antagonist.

Molecular Weight

  • 1367.4
 
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Names and Synonyms

Name of Substance

  • N-Ac-(4-Cl-Phe)(1)-(4-Cl-Phe)(2)-Trp(3)-Lys(6)-AlaNH2(10)-LHRH

Synonyms

  • GNRH, N-Ac-(4-Cl-phe)(1)-(4-Cl-phe)(2)-trp(3)-lys(6)-alanh2(10)-
  • LHRH-N-Acetyl-4-chlorophenylalanyl(1)-4-chlorophenylalanyl(2)-tryptophyl(3)-lysyl(6)-alaninamide(10)-
  • N-Ac-1-(4-Cl-Phe)-2-(4-Cl-phe)-3-trp-6-lys-10-alanh2-LHRH
  • Ptla-LHRH

Systematic Name

  • D-Alaninamide, N-acetyl-4-chloro-D-phenylalanyl-4-chloro-D-phenylalanyl-D-tryptophyl-L-seryl-L-tyrosyl-D-alanyl-L-leucyl-L-arginyl-L-prolyl-, (S)-

Registry Numbers

CAS Registry Number

  • 81608-55-1

System Generated Number

  • 0081608551

Structure Descriptors

InChI

1S/C66H85Cl2N15O13/c1-35(2)28-50(60(91)77-49(12-8-26-72-66(70)71)65(96)83-27-9-13-55(83)64(95)75-37(4)57(88)82-62(93)51(76-38(5)85)30-40-16-22-44(68)23-17-40)78-56(87)36(3)74-59(90)52(31-41-18-24-45(86)25-19-41)80-63(94)54(34-84)81-61(92)53(32-42-33-73-48-11-7-6-10-46(42)48)79-58(89)47(69)29-39-14-20-43(67)21-15-39/h6-7,10-11,14-25,33,35-37,47,49-55,73,84,86H,8-9,12-13,26-32,34,69H2,1-5H3,(H,74,90)(H,75,95)(H,76,85)(H,77,91)(H,78,87)(H,79,89)(H,80,94)(H,81,92)(H4,70,71,72)(H,82,88,93)/t36-,37-,47-,49+,50+,51-,52+,53-,54+,55+/m1/s1

InChIKey

PNUSPKPSAJBVMN-INWWMVJCSA-N

Smiles

C([C@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@H](N)Cc1ccc(cc1)Cl)=O)Cc1c[nH]c2ccccc12)=O)CO)=O)Cc1ccc(O)cc1)=O)C)=O)CC(C)C)=O)CCCNC(=N)N)=O)=O)C)(=O)NC([C@H](NC(=O)C)Cc1ccc(cc1)Cl)=O