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Substance Name: LHRH, N-Ac-Nal(1)-4-Cl-Phe(2)-Trp(3)-Cit(6)-AlaNH2(10)-
RN: 120287-84-5
InChIKey: CYPOMICIMVMBPV-CRCWCKIHSA-N

Note

  • LHRH antagonist.

Molecular Formula

  • C73-H94-Cl-N17-O14

Molecular Weight

  • 1469.1
 
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Names and Synonyms

Name of Substance

  • LHRH, N-Ac-Nal(1)-4-Cl-Phe(2)-Trp(3)-Cit(6)-AlaNH2(10)-

Synonyms

  • GNRH, N-Ac-nal(1)-4-Cl-phe(2)-trp(3)-cit(6)-alanh2(10)-
  • LHRH, N-Ac-Nal(1)-4-Cl-Phe(2)-Trp(3)-Cit(6)-AlaNH2(10)-
  • LHRH, N-Acetyl-(2-naphthalenyl)alanyl(1)-4-chlorophenylalanyl(2)-tryptophyl(3)-citrullinyl(6)-alaninamide(10)-
  • N-Ac-1-(2-Nal)-2-(4-Cl-phe)-3-trp-6-cit-10-alanh2-LHRH
  • SB-30

Systematic Name

  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-D-tryptophyl-L-seryl-L-tyrosyl-N5-(aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-

Registry Numbers

CAS Registry Number

  • 120287-84-5

System Generated Number

  • 0120287845

Structure Descriptors

InChI

1S/C73H94ClN17O14/c1-40(2)32-56(86-62(95)52(75)15-9-30-81-73(79)105)64(97)85-55(17-10-29-80-72(77)78)69(102)90-31-11-18-61(90)67(100)83-41(3)68(101)91(70(103)58(84-42(4)93)36-45-19-24-46-12-5-6-13-47(46)33-45)71(104)59(35-44-22-27-50(94)28-23-44)88-66(99)60(39-92)89-65(98)57(37-48-38-82-54-16-8-7-14-51(48)54)87-63(96)53(76)34-43-20-25-49(74)26-21-43/h5-8,12-14,16,19-28,33,38,40-41,52-53,55-61,82,92,94H,9-11,15,17-18,29-32,34-37,39,75-76H2,1-4H3,(H,83,100)(H,84,93)(H,85,97)(H,86,95)(H,87,96)(H,88,99)(H,89,98)(H4,77,78,80)(H3,79,81,105)/t41-,52-,53-,55+,56+,57-,58-,59+,60+,61+/m1/s1

InChIKey

CYPOMICIMVMBPV-CRCWCKIHSA-N

Smiles

C([C@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@H](N)CCCNC(=O)N)=O)CC(C)C)=O)CCCNC(=N)N)=O)=O)C)(=O)N(C([C@@H](NC([C@@H](NC([C@H](NC([C@H](N)Cc1ccc(cc1)Cl)=O)Cc1c[nH]c2ccccc12)=O)CO)=O)Cc1ccc(O)cc1)=O)C([C@H](NC(=O)C)Cc1cc2ccccc2cc1)=O