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Substance Name: LHRH, N-ac-ala(1)-(4-Cl-phe)(2)-trp(3,6)-
RN: 81557-54-2
InChIKey: ZCTSGJGBEHEBBD-QRMCYJJBSA-N

Note

  • Gonadorelin antagonist.

Molecular Formula

  • C67-H85-Cl-N16-O13

Molecular Weight

  • 1357.96
 
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Names and Synonyms

Name of Substance

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

Synonyms

  • GNRH, N-Ac-ala(1)-(4-Cl-phe)(2)-trp(3,6)-
  • LHRH, N-Acetylphenylalanyl(1)-(4-chlorophenylalanyl)(2)-tryptophan(3,6)-
  • N-Ac-1-Ala-2-(4-Cl-phe)-3,6-trp-LHRH
  • Naapcpt-LHRH

Systematic Name

  • Luteinizing hormone-releasing factor, 1-(N-acetyl-L-alanine)-2-(4-chloro-D-phenylalanine)-3-D-tryptophan-6-D-tryptophan-

Registry Numbers

CAS Registry Number

  • 81557-54-2

System Generated Number

  • 0081557542

Structure Descriptors

InChI

1S/C67H85ClN16O13/c1-36(2)27-50(59(90)77-49(15-9-25-72-67(70)71)66(97)84-26-10-16-56(84)65(96)75-34-57(69)88)79-62(93)53(30-41-32-73-47-13-7-5-11-45(41)47)81-61(92)52(29-40-19-23-44(87)24-20-40)80-64(95)55(35-85)83-63(94)54(31-42-33-74-48-14-8-6-12-46(42)48)82-60(91)51(28-39-17-21-43(68)22-18-39)78-58(89)37(3)76-38(4)86/h5-8,11-14,17-24,32-33,36-37,49-56,73-74,85,87H,9-10,15-16,25-31,34-35H2,1-4H3,(H2,69,88)(H,75,96)(H,76,86)(H,77,90)(H,78,89)(H,79,93)(H,80,95)(H,81,92)(H,82,91)(H,83,94)(H4,70,71,72)/t37-,49-,50-,51+,52-,53+,54+,55-,56-/m0/s1

InChIKey

ZCTSGJGBEHEBBD-QRMCYJJBSA-N

Smiles

C(=O)(N)CNC([C@@H]1CCCN1C([C@@H](NC([C@H](CC(C)C)NC([C@H](NC([C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC([C@@H](Cc1ccc(cc1)Cl)NC(=O)[C@H](C)NC(C)=O)=O)Cc1ccc(cc1)O)=O)Cc1c[nH]c2ccccc12)=O)=O)CCCNC(N)=N)=O)=O