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Substance Name: LHRH, N-ac-Pro(1)-(4-Cl-phe)(2)-(2-naphthyl-ala)(3,6)-
RN: 82778-57-2
InChIKey: VLAHCTGYEJMKKF-CRJOYQNVSA-N

Note

  • Gonadorelin antagonist.

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C73-H89-Cl-N14-O13

Molecular Weight

  • 1406.04
 
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Names and Synonyms

Name of Substance

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

Synonym

  • (N-Ac-Pro,1D-p-Cl-Phe,2D-Nal(2)(3,6))-GnRH

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 82778-57-2

System Generated Number

  • 0082778572

Structure Descriptors

InChI

1S/C73H89ClN14O13/c1-42(2)33-55(64(93)80-54(15-8-30-78-73(76)77)72(101)88-32-10-16-61(88)70(99)79-40-63(75)92)81-67(96)58(38-46-18-24-48-11-4-6-13-50(48)34-46)82-65(94)56(37-45-22-28-53(91)29-23-45)84-69(98)60(41-89)86-68(97)59(39-47-19-25-49-12-5-7-14-51(49)35-47)83-66(95)57(36-44-20-26-52(74)27-21-44)85-71(100)62-17-9-31-87(62)43(3)90/h4-7,11-14,18-29,34-35,42,54-62,89,91H,8-10,15-17,30-33,36-41H2,1-3H3,(H2,75,92)(H,79,99)(H,80,93)(H,81,96)(H,82,94)(H,83,95)(H,84,98)(H,85,100)(H,86,97)(H4,76,77,78)/t54-,55-,56-,57+,58+,59+,60-,61-,62-/m0/s1

InChIKey

VLAHCTGYEJMKKF-CRJOYQNVSA-N

Smiles

NC(CNC(=O)[C@@H]1CCCN1C([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc2c(cccc2)c1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](NC([C@H]1N(CCC1)C(=O)C)=O)Cc1ccc(cc1)Cl)Cc1cc2c(cc1)cccc2)Cc1ccc(cc1)O)CC(C)C)CCCNC(N)=N)=O)=O