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Substance Name: LHRH,(N)-Ac-Trp(1)-(4-Cl-Phe)(2)-Trp(3)-Phe(6)-AlaNH2(10)-
RN: 78493-59-1
InChIKey: LJWJYSNNBIRUFP-LYTCLSSASA-N

Note

  • Gonadorelin antagonist.

Molecular Weight

  • 1448.08
 
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Names and Synonyms

Name of Substance

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

Synonyms

  • 1-N-Ac-Trp-2-(4-Cl-phe)-3-trp-6-phe-10-alanh2-LHRH
  • Atcppa-LHRH
  • GNRH, (N)-Ac-trp(1)-(4-Cl-phe)(2)-trp(3)-phe(6)-alanh2(10)-
  • LHRH, (N)-Acetyltryptophyl(1)-4-chlorophenylalanyl(2)-tryptophyl(3)-phenylalanyl(6)-alaninamide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78493-59-1

System Generated Number

  • 0078493591

Structure Descriptors

InChI

1S/C74H91ClN16O13/c1-41(2)32-57(66(97)84-56(20-12-30-79-74(77)78)73(104)91-31-13-21-63(91)72(103)82-42(3)64(95)90-70(101)60(83-43(4)93)36-47-38-80-54-18-10-8-16-51(47)54)86-67(98)58(34-44-14-6-5-7-15-44)87-68(99)59(35-46-24-28-50(94)29-25-46)88-71(102)62(40-92)89-69(100)61(37-48-39-81-55-19-11-9-17-52(48)55)85-65(96)53(76)33-45-22-26-49(75)27-23-45/h5-11,14-19,22-29,38-39,41-42,53,56-63,80-81,92,94H,12-13,20-21,30-37,40,76H2,1-4H3,(H,82,103)(H,83,93)(H,84,97)(H,85,96)(H,86,98)(H,87,99)(H,88,102)(H,89,100)(H4,77,78,79)(H,90,95,101)/t42-,53-,56+,57+,58-,59+,60-,61-,62+,63+/m1/s1

InChIKey

LJWJYSNNBIRUFP-LYTCLSSASA-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)Cc1ccccc1)=O)CC(C)C)=O)CCCNC(=N)N)=O)=O)C)(=O)NC([C@H](NC(=O)C)Cc1c[nH]c2ccccc12)=O