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Substance Name: MI 1544
RN: 87565-51-3
InChIKey: SJIRJOKZIDRUQX-ZIJAQKSWSA-N

Note

  • LHRH antagonist.

Molecular Formula

  • C71-H94-Cl-N17-O13

Molecular Weight

  • 1429.08
 
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Names and Synonyms

Name of Substance

  • MI 1544

Synonyms

  • 1-Ac-Trp-2-(4-Cl-phe)-3-trp-6-lys-10-alanh2-LHRH
  • 1-Ac-Trp-2-cpa-3-trp-6-lys-10-alanh2-LHRH
  • Ac-D-Trp(1,3)-D-cpa(2)-D-lys(6)-D-ala(10)-LH-RH
  • Attcpl-LHRH
  • GNRH, N-Ac-trp(1)-(4-Cl-phe)(2)-trp(3)-lys(6)-alanh2(10)-
  • LHRH, N-ac-Trp(1)-4-Cl-phe(2)-trp(3)-lys(6)-alanh(2)(10)-
  • LHRH,-N-(Acetyltryptophyl)(1)-4-chlorophenylalanyl(2)-tryptophyl(3)-lysyl(6)-alaninamide(10)-
  • MI-1544

Systematic Names

  • D-Alaninamide, N-acetyl-D-tryptophyl-4-chloro-D-phenylalanyl-D-trptophyl-L-seryl-L-tyrosyl-D-lysyl-L-leucyl-L-arginyl-L-prolyl-
  • D-Alaninamide, N-acetyl-D-tryptophyl-4-chloro-D-phenylalanyl-D-tryptophyl-L-seryl-L-tyrosyl-D-lysyl-L-leucyl-L-arginyl-L-prolyl-, (6R-(6alpha,7beta(Z)))-

Registry Numbers

CAS Registry Number

  • 87565-51-3

System Generated Number

  • 0087565513

Structure Descriptors

InChI

1S/C71H94ClN17O13/c1-39(2)31-55(64(96)83-54(18-11-29-77-71(75)76)70(102)89-30-12-19-60(89)69(101)80-40(3)61(93)88-67(99)57(81-41(4)91)34-44-36-78-51-15-7-5-13-48(44)51)85-63(95)53(17-9-10-28-73)82-65(97)56(33-43-22-26-47(92)27-23-43)86-68(100)59(38-90)87-66(98)58(35-45-37-79-52-16-8-6-14-49(45)52)84-62(94)50(74)32-42-20-24-46(72)25-21-42/h5-8,13-16,20-27,36-37,39-40,50,53-60,78-79,90,92H,9-12,17-19,28-35,38,73-74H2,1-4H3,(H,80,101)(H,81,91)(H,82,97)(H,83,96)(H,84,94)(H,85,95)(H,86,100)(H,87,98)(H4,75,76,77)(H,88,93,99)/t40-,50-,53-,54+,55+,56+,57-,58-,59+,60+/m1/s1

InChIKey

SJIRJOKZIDRUQX-ZIJAQKSWSA-N

Smiles

C([C@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@H](NC([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)CCCCN)=O)CC(C)C)=O)CCCNC(=N)N)=O)=O)C)(=O)NC([C@H](NC(=O)C)Cc1c[nH]c2ccccc12)=O