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Substance Name: Ovurelin
RN: 115803-96-8
InChIKey: DCHIRKIHIUVOFN-AVHLHLRFSA-N

Note

  • GnRH agonist.

Molecular Formula

  • C62-H82-N16-O12

Molecular Weight

  • 1243.43
 
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Names and Synonyms

Name of Substance

  • Ovurelin

Synonyms

  • 6-Phe-9-N-Et-pronh2-10-des-gly-LHRH
  • GNRH, phe(6)-N-Et-pronh2-
  • LHRH, phe(6)-N-Et-pronh2-
  • LHRH, phenylalanyl(6)-N-ethylprolinamide(9)-

Systematic Name

  • Ovurelin

Registry Numbers

CAS Registry Number

  • 115803-96-8

System Generated Number

  • 0115803968

Structure Descriptors

InChI

1S/C62H82N16O12/c1-4-66-60(89)51-17-11-25-78(51)61(90)44(16-10-24-67-62(63)64)71-54(83)45(26-35(2)3)72-55(84)46(27-36-12-6-5-7-13-36)73-56(85)47(28-37-18-20-40(80)21-19-37)74-59(88)50(33-79)77-57(86)48(29-38-31-68-42-15-9-8-14-41(38)42)75-58(87)49(30-39-32-65-34-69-39)76-53(82)43-22-23-52(81)70-43/h5-9,12-15,18-21,31-32,34-35,43-51,68,79-80H,4,10-11,16-17,22-30,33H2,1-3H3,(H,65,69)(H,66,89)(H,70,81)(H,71,83)(H,72,84)(H,73,85)(H,74,88)(H,75,87)(H,76,82)(H,77,86)(H4,63,64,67)/t43-,44-,45-,46+,47-,48-,49-,50-,51-/m0/s1

InChIKey

DCHIRKIHIUVOFN-AVHLHLRFSA-N

Smiles

N1([C@@H](CCC1)C(=O)NCC)C([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)[C@H]1NC(=O)CC1)Cc1cnc[nH]1)=O)Cc1c[nH]c2c1cccc2)=O)CO)=O)Cc1ccc(cc1)O)=O)Cc1ccccc1)=O)CC(C)C)=O)CCCNC(N)=N)=O