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Substance Name: LHRH, N-Ac-2-Nal(1)-4-Cl-Phe(2)-Trp(3)-Hci(6)-AlaNH2(10)-
RN: 120287-83-4
InChIKey: YRIHQDGDADHDII-YPGJXLFCSA-N

Note

  • LHRH antagonist.

Classification Codes

  • Hormone Antagonists
  • Hormones, Hormone Substitutes, and Hormone Antagonists

Molecular Formula

  • C74-H96-Cl-N17-O14

Molecular Weight

  • 1483.13
 
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Names and Synonyms

Name of Substance

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

Synonyms

  • GNRH, N-Ac-2-nal(1)-4-Cl-phe(2)-trp(3)-hci(6)-alanh2(10)-
  • LHRH, N-Ac-2-Nal(1)-4-Cl-Phe(2)-3-Pal(3)-Arg(5)-Glu(6)-AlaNH2(10)-
  • LHRH, N-Ac-2-Nal(1)-4-Cl-Phe(2)-Trp(3)-Hci(6)-AlaNH2(10)-
  • LHRH, N-Acetyl-2-naphthalenylalanyl(1)-4-chlorophenylalanyl(2)-tryptophyl(3)-homocitrullinyl(6)-alaninamide(10)-
  • N-Ac-1-(2-Nal)-2-(4-Cl-phe)-3-trp-6-hci-10-alanh2-LHRH
  • SB-29

Systematic Name

  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-D-tryptophyl-L-seryl-L-tyrosyl-N6-(aminocarbonyl)-D-lysyl-L-leucyl-L-arginyl-L-prolyl-

Registry Numbers

CAS Registry Number

  • 120287-83-4

System Generated Number

  • 0120287834

Structure Descriptors

InChI

1S/C74H96ClN17O14/c1-41(2)33-57(87-63(96)53(76)16-9-10-30-82-74(80)106)65(98)86-56(18-11-31-81-73(78)79)70(103)91-32-12-19-62(91)68(101)84-42(3)69(102)92(71(104)59(85-43(4)94)37-46-20-25-47-13-5-6-14-48(47)34-46)72(105)60(36-45-23-28-51(95)29-24-45)89-67(100)61(40-93)90-66(99)58(38-49-39-83-55-17-8-7-15-52(49)55)88-64(97)54(77)35-44-21-26-50(75)27-22-44/h5-8,13-15,17,20-29,34,39,41-42,53-54,56-62,83,93,95H,9-12,16,18-19,30-33,35-38,40,76-77H2,1-4H3,(H,84,101)(H,85,94)(H,86,98)(H,87,96)(H,88,97)(H,89,100)(H,90,99)(H4,78,79,81)(H3,80,82,106)/t42-,53-,54-,56+,57+,58-,59-,60+,61+,62+/m1/s1

InChIKey

YRIHQDGDADHDII-YPGJXLFCSA-N

Smiles

C([C@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@H](N)CCCCNC(=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