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Substance Name: LHRH, Trp(7)-
RN: 70920-44-4
InChIKey: PMKRHHTYRXNHFA-VTWSTLNFSA-N

Note

  • Gonadorelin antagonist.

Molecular Formula

  • C60-H74-N18-O13

Molecular Weight

  • 1255.3576
 
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Names and Synonyms

Name of Substance

  • LHRH, Trp(7)-

Synonyms

  • 7-Trp-LHRH
  • Gnrh, trp(7)-
  • LHRH, Tryptophan(7)-

Systematic Name

  • Luteinizing hormone-releasing factor (pig), 7-L-tryptophan-

Registry Numbers

CAS Registry Number

  • 70920-44-4

System Generated Number

  • 0070920444

Structure Descriptors

InChI

1S/C60H74N18O13/c61-49(81)28-68-58(90)48-12-6-20-78(48)59(91)42(11-5-19-65-60(62)63)73-54(86)44(22-33-25-66-39-9-3-1-7-37(33)39)72-51(83)29-69-52(84)43(21-32-13-15-36(80)16-14-32)74-57(89)47(30-79)77-55(87)45(23-34-26-67-40-10-4-2-8-38(34)40)75-56(88)46(24-35-27-64-31-70-35)76-53(85)41-17-18-50(82)71-41/h1-4,7-10,13-16,25-27,31,41-48,66-67,79-80H,5-6,11-12,17-24,28-30H2,(H2,61,81)(H,64,70)(H,68,90)(H,69,84)(H,71,82)(H,72,83)(H,73,86)(H,74,89)(H,75,88)(H,76,85)(H,77,87)(H4,62,63,65)/t41-,42-,43-,44-,45-,46-,47-,48-/m0/s1

InChIKey

PMKRHHTYRXNHFA-VTWSTLNFSA-N

Smiles

NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CO)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H](Cc7cnc[nH]7)NC(=O)[C@@H]8CCC(=O)N8