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Substance Name: LHRH, gln(1)-des-his(2)-phe(6)-N-Et-pronh2(9)-
RN: 64153-06-6
InChIKey: QIIVASXVZPJUQU-VQPMNMNUSA-N

Note

  • Gonadorelin antagonist.

Molecular Formula

  • C64-H84-N14-O13

Molecular Weight

  • 1257.4526
 
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Names and Synonyms

Name of Substance

  • LHRH, gln(1)-des-his(2)-phe(6)-N-Et-pronh2(9)-

Synonyms

  • 1-Gln-2-des-his-6-phe-9-N-Et-prohn2-10-des-glynh2-LHRH
  • Gdhpdglhrh
  • Ghps-LHRH-net
  • GNRH, gln(1)-des-his(2)-phe(6)-N-Et-pronh2(9)-
  • LHRH, Glutaminyl(1)-deshistidyl(2)-phenylalanyl(6)-N-ethylprolinamide(9)-deglycinamide(10)-

Systematic Name

  • L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-glutaminyl-L-tryptophyl-L-seryl-L-tyrosyl-D-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-

Registry Numbers

CAS Registry Number

  • 64153-06-6

System Generated Number

  • 0064153066

Structure Descriptors

InChI

1S/C64H84N14O13/c1-4-78-30-14-22-53(78)62(89)77-56(83)46(21-13-29-68-63(66)67)70-57(84)48(31-38(2)3)71-58(85)49(32-39-15-7-5-8-16-39)72-59(86)50(33-40-23-25-43(80)26-24-40)73-61(88)52(36-79)75-60(87)51(34-42-35-69-45-20-12-11-19-44(42)45)74-55(82)47(27-28-54(65)81)76-64(90)91-37-41-17-9-6-10-18-41/h5-12,15-20,23-26,35,38,46-53,69,79-80H,4,13-14,21-22,27-34,36-37H2,1-3H3,(H2,65,81)(H,70,84)(H,71,85)(H,72,86)(H,73,88)(H,74,82)(H,75,87)(H,76,90)(H4,66,67,68)(H,77,83,89)/t46-,47-,48-,49+,50-,51-,52-,53-/m0/s1

InChIKey

QIIVASXVZPJUQU-VQPMNMNUSA-N

Smiles

CCN1CCC[C@H]1C(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)NC(=O)[C@H](CCC(=O)N)NC(=O)OCc6ccccc6