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Substance Name: N-Acetyl-2-naphthylalanyl-4-chlorophenyalanyl-3-pyridylalanyl-seryl-N-methyltyrosyl-lysyl-leucyl-lysyl-prolyl-alaninamide
RN: 135216-07-8
InChIKey: ZLDBJGBUZBUHAE-RIJBMELVSA-N

Note

  • GnRH antagonist.

Molecular Weight

  • 1430.15
 
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Names and Synonyms

Name of Substance

  • N-Acetyl-2-naphthylalanyl-4-chlorophenyalanyl-3-pyridylalanyl-seryl-N-methyltyrosyl-lysyl-leucyl-lysyl-prolyl-alaninamide

Synonyms

  • N-Ac-2-Nal-4-clphe-3-pal-ser-nmetyr-lys-leu-lys-pro-alanh2
  • Nappsmlllpa

Registry Numbers

CAS Registry Number

  • 135216-07-8

System Generated Number

  • 0135216078

Structure Descriptors

InChI

1S/C74H101ClN14O13/c1-44(2)36-61(85-66(95)58(20-10-12-32-76)84-67(96)60(80-7)40-48-25-30-54(92)31-26-48)70(99)88(71(100)62(43-90)86-65(94)56(78)39-50-16-14-33-81-42-50)73(102)74(6,64(93)59(83-46(5)91)41-49-22-27-51-17-8-9-18-52(51)37-49)89(69(98)57(79)38-47-23-28-53(75)29-24-47)72(101)63-21-15-35-87(63)68(97)55(77)19-11-13-34-82-45(3)4/h8-9,14,16-18,22-31,33,37,42,44-45,55-63,80,82,90,92H,10-13,15,19-21,32,34-36,38-41,43,76-79H2,1-7H3,(H,83,91)(H,84,96)(H,85,95)(H,86,94)/t55-,56+,57+,58+,59+,60-,61-,62-,63-,74-/m0/s1

InChIKey

ZLDBJGBUZBUHAE-RIJBMELVSA-N

Smiles

C([C@](N(C([C@H]1N(CCC1)C([C@@H](N)CCCCNC(C)C)=O)=O)C([C@H](N)Cc1ccc(cc1)Cl)=O)(C)C([C@H](NC(=O)C)Cc1cc2ccccc2cc1)=O)(=O)N(C([C@@H](NC([C@H](NC([C@@H](NC)Cc1ccc(O)cc1)=O)CCCCN)=O)CC(C)C)=O)C([C@@H](NC([C@H](N)Cc1cnccc1)=O)CO)=O