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Substance Name: LHRH, N-ac-(4-Cl-Phe)(1,2)-trp(3)-arg(6)-alanh2(10)-
RN: 81608-49-3
InChIKey: HDKMSGKLRVZCOD-SXMMSQOJSA-N

Note

  • Suppresses ovulation; gonadorelin antagonist.

Molecular Formula

  • C69-H92-Cl2-N18-O13

Molecular Weight

  • 1452.5
 
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Names and Synonyms

Name of Substance

  • LHRH, N-ac-(4-Cl-Phe)(1,2)-trp(3)-arg(6)-alanh2(10)-

Synonyms

  • 1-N-Ac-1,2-(4-Cl-Phe)-3-trp-6-arg-10-alanh2-LHRH
  • GNRH, N-Ac-(4-Cl-phe)(1,2)-trp(3)-arg(6)-alanh2(10)-
  • LHRH-N-Acetyl-4-chlorophenylalanyl(1,2)-tryptophyl(3)-arginyl(6)-alaninamide
  • Napt-taa

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 81608-49-3

System Generated Number

  • 0081608493

Structure Descriptors

InChI

1S/C69H92Cl2N18O13/c1-37(2)30-52(84-60(95)50(12-7-27-77-68(73)74)82-63(98)54(33-42-19-25-46(92)26-20-42)86-65(100)56(36-90)87-59(94)48(72)34-43-35-79-49-11-6-5-10-47(43)49)61(96)83-51(13-8-28-78-69(75)76)67(102)89-29-9-14-57(89)66(101)80-38(3)58(93)88-64(99)55(32-41-17-23-45(71)24-18-41)85-62(97)53(81-39(4)91)31-40-15-21-44(70)22-16-40/h5-6,10-11,15-26,35,37-38,48,50-57,79,90,92H,7-9,12-14,27-34,36,72H2,1-4H3,(H,80,101)(H,81,91)(H,82,98)(H,83,96)(H,84,95)(H,85,97)(H,86,100)(H,87,94)(H4,73,74,77)(H4,75,76,78)(H,88,93,99)/t38-,48-,50-,51+,52+,53-,54+,55-,56+,57+/m1/s1

InChIKey

HDKMSGKLRVZCOD-SXMMSQOJSA-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](N)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([C@H](NC(=O)C)Cc1ccc(cc1)Cl)=O)Cc1ccc(cc1)Cl)=O