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Substance Name: LHRH, N-ac-(4-Cl-Phe)(1,2)-phe(3)-arg(6)-alanh2(10)-
RN: 85416-56-4
InChIKey: ZIGJFYQNWCQUSD-FNYHMNKTSA-N

Note

  • Gonadorelin antagonist.

Molecular Weight

  • 1414.452
 
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Names and Synonyms

Name of Substance

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

Synonyms

  • GNRH, N-Ac-(4-Cl-phe)(1,2)-phe(3)-arg(6)-alanh2(10)-
  • LHRH, N-Acetyl-4-chlorophenylalanyl(1,2)-phenylalanyl(3)-arginyl(6)-alanimide(10)-
  • N-Ac-1,2-(4-Cl-Phe)-3-phe-6-arg-10-alanh2-LHRH
  • Napp-paa

Systematic Name

  • D-Alanine, N-(1-(N2-(N-(N2-(N-(N-(N-(N-(N-acetyl-4-chloro-D-phenylalanyl)-4-chloro-D-phenylalanyl)-L-phenylalanyl)-L-seryl)-L-tyrosyl)-D-arginyl)-L-leucyl)-L-arginyl)-L-prolyl)-

Registry Numbers

CAS Registry Number

  • 85416-56-4

System Generated Number

  • 0085416564

Structure Descriptors

InChI

1S/C67H90Cl2N16O14/c1-37(2)31-49(57(90)79-48(14-9-29-75-67(72)73)64(97)85-30-10-15-55(85)63(96)76-38(3)65(98)99)80-56(89)47(13-8-28-74-66(70)71)78-59(92)52(35-43-20-26-46(88)27-21-43)83-62(95)54(36-86)84-61(94)51(32-40-11-6-5-7-12-40)82-60(93)53(34-42-18-24-45(69)25-19-42)81-58(91)50(77-39(4)87)33-41-16-22-44(68)23-17-41/h5-7,11-12,16-27,37-38,47-55,86,88H,8-10,13-15,28-36H2,1-4H3,(H,76,96)(H,77,87)(H,78,92)(H,79,90)(H,80,89)(H,81,91)(H,82,93)(H,83,95)(H,84,94)(H,98,99)(H4,70,71,74)(H4,72,73,75)/t38-,47-,48+,49+,50-,51+,52+,53-,54+,55+/m1/s1

InChIKey

ZIGJFYQNWCQUSD-FNYHMNKTSA-N

Smiles

C[C@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc4ccc(cc4)Cl)NC(=O)[C@@H](Cc5ccc(cc5)Cl)NC(=O)C