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Substance Name: LHRH, phe(2)-N-epsilon-(2,4)-dinitrophenol-lys(6)-
RN: 100304-55-0
InChIKey: BSNGEDCGOOMPDX-SEHSELDVSA-N

Note

  • Gonadorelin antagonist.

Molecular Weight

  • 1429.5522
 
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Names and Synonyms

Name of Substance

  • LHRH, phe(2)-N-epsilon-(2,4)-dinitrophenol-lys(6)-

Synonyms

  • 2-Phe-2,4-N-epsilon-dinitrophenol-6-lys-LHRH
  • GNRH, phe(2)-N-epsilon-(2,4)-dinitrophenol-lys(6)-
  • LHRH, phenylalanyl(2)-N-epsilon-(2,4)-dinitrophenollysine(6)-
  • PL-Dnp-LHRH

Registry Numbers

CAS Registry Number

  • 100304-55-0

System Generated Number

  • 0100304550

Structure Descriptors

InChI

1S/C68H88N18O17/c1-38(2)30-50(61(93)78-49(17-10-28-73-68(70)71)67(99)84-29-11-18-55(84)66(98)75-36-57(69)89)79-59(91)47(16-8-9-27-72-46-24-21-42(85(100)101)34-56(46)86(102)103)77-62(94)52(32-40-19-22-43(88)23-20-40)81-65(97)54(37-87)83-64(96)53(33-41-35-74-45-15-7-6-14-44(41)45)82-63(95)51(31-39-12-4-3-5-13-39)80-60(92)48-25-26-58(90)76-48/h3-7,12-15,19-24,34-35,38,47-55,72,74,87-88H,8-11,16-18,25-33,36-37H2,1-2H3,(H2,69,89)(H,75,98)(H,76,90)(H,77,94)(H,78,93)(H,79,91)(H,80,92)(H,81,97)(H,82,95)(H,83,96)(H4,70,71,73)/t47-,48-,49+,50+,51-,52+,53-,54+,55+/m1/s1

InChIKey

BSNGEDCGOOMPDX-SEHSELDVSA-N

Smiles

CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CCCCNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc4c[nH]c5c4cccc5)NC(=O)[C@@H](Cc6ccccc6)NC(=O)[C@H]7CCC(=O)N7