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Substance Name: A 75998
RN: 135215-95-1
InChIKey: CRLOOHDYULQNLS-SPAOFFDCSA-N

Note

  • Inhibits leuteinizing hormone releasing hormone.

Molecular Weight

  • 1535.25
 
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Names and Synonyms

Name of Substance

  • A 75998

Synonym

  • N-Acetyl-D-2-naphthylalanyl-4-chlorophenylalanyl-3-pyridylalanyl-seryl-N-methyltyrosyl-N(epsilon)-nicotinyllysyl-leucyl-N(epsilon)-isopropyllysyl-prolyl-alaninamide acetate

Systematic Name

  • A-75998

Registry Numbers

CAS Registry Number

  • 135215-95-1

System Generated Number

  • 0135215951

Structure Descriptors

InChI

1S/C80H104ClN15O14/c1-48(2)38-66(92-72(103)60(82)20-9-12-36-90-71(102)57-19-14-34-88-46-57)76(107)95(75(106)65(86-6)42-52-26-31-59(99)32-27-52)79(110)80(70(101)62(84)40-51-24-29-58(81)30-25-51,44-69(100)64(91-50(5)98)43-53-23-28-55-17-7-8-18-56(55)39-53)96(77(108)67(47-97)93-73(104)63(85)41-54-16-13-33-87-45-54)78(109)68-22-15-37-94(68)74(105)61(83)21-10-11-35-89-49(3)4/h7-8,13-14,16-19,23-34,39,45-46,48-49,60-68,86,89,97,99H,9-12,15,20-22,35-38,40-44,47,82-85H2,1-6H3,(H,90,102)(H,91,98)(H,92,103)(H,93,104)/t60-,61+,62-,63-,64-,65+,66+,67+,68+,80+/m1/s1

InChIKey

CRLOOHDYULQNLS-SPAOFFDCSA-N

Smiles

C([C@](N(C([C@H]1N(CCC1)C([C@@H](N)CCCCNC(C)C)=O)=O)C([C@@H](NC([C@H](N)Cc1cnccc1)=O)CO)=O)(CC([C@H](NC(=O)C)Cc1cc2ccccc2cc1)=O)C([C@H](N)Cc1ccc(cc1)Cl)=O)(=O)N(C([C@@H](NC([C@H](N)CCCCNC(=O)c1cnccc1)=O)CC(C)C)=O)C([C@@H](NC)Cc1ccc(O)cc1)=O