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Substance Name: LHRH, N-ac-Trp(1)-(4-Cl-phe)(2)-trp(3)-arg(6)-ala(10)-
RN: 86044-76-0
InChIKey: RXEFQWSRPHNLBJ-JHOBKTHQSA-N

Note

  • Gonadorelin antagonist.

Molecular Weight

  • 1457.1
 
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Names and Synonyms

Name of Substance

  • LHRH, N-ac-Trp(1)-(4-Cl-phe)(2)-trp(3)-arg(6)-ala(10)-

Synonyms

  • 1-N-Ac-Trp-2-(4-Cl-phe)-3-trp-6-arg-10-ala-LHRH
  • Actcaa-LHRH
  • GNRH, N-Ac-trp(1)-(4-Cl-phe)(2)-trp(3)-arg(6)-ala(10)-
  • LHRH-N-Acetyltryptophyl(1)-4-chlorophenylalanyl(2)-tryptophyl(3)-arginyl(6)-alanine(10)-
  • Lrh 147
  • N-Acetyl-1,3-tryptophyl-2-p-chlorophenylalanyl-6-arginyl-10-alanine-LHRH

Systematic Name

  • D-Alaninamide, N-acetyl-D-tryptophyl-4-chloro-D-phenylalanyl-D-tryptophyl-L-seryl-L-tyrosyl-D-arginyl-L-leucyl-L-arginyl-L-prolyl-, (2S-(2alpha,3alpha(S*),5alpha,6beta))-

Registry Numbers

CAS Registry Number

  • 86044-76-0

System Generated Number

  • 0086044760

Structure Descriptors

InChI

1S/C71H94ClN19O13/c1-38(2)30-54(63(98)85-53(17-10-28-79-71(76)77)69(104)91-29-11-18-59(91)68(103)82-39(3)60(95)90-66(101)56(83-40(4)93)33-43-35-80-50-14-7-5-12-47(43)50)87-62(97)52(16-9-27-78-70(74)75)84-64(99)55(32-42-21-25-46(94)26-22-42)88-67(102)58(37-92)89-65(100)57(34-44-36-81-51-15-8-6-13-48(44)51)86-61(96)49(73)31-41-19-23-45(72)24-20-41/h5-8,12-15,19-26,35-36,38-39,49,52-59,80-81,92,94H,9-11,16-18,27-34,37,73H2,1-4H3,(H,82,103)(H,83,93)(H,84,99)(H,85,98)(H,86,96)(H,87,97)(H,88,102)(H,89,100)(H4,74,75,78)(H4,76,77,79)(H,90,95,101)/t39-,49-,52-,53+,54+,55+,56-,57-,58+,59+/m1/s1

InChIKey

RXEFQWSRPHNLBJ-JHOBKTHQSA-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)CCCNC(=N)N)=O)CC(C)C)=O)CCCNC(=N)N)=O)=O)C)(=O)NC([C@H](NC(=O)C)Cc1c[nH]c2ccccc12)=O