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Substance Name: CH 66
RN: 139890-66-7
InChIKey: IOODFRUCBCPLAP-WRPOBCEFSA-N

Note

  • A renin inhibitor.

Molecular Formula

  • C58-H81-N11-O12

Molecular Weight

  • 1124.34
 
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Names and Synonyms

Name of Substance

  • CH 66

Synonyms

  • CH-66
  • Piv-his-pro-phe-leu(OH)leu-tyr-tyr-ser-NH2

Systematic Name

  • L-Serinamide, N-(2-((N-(1-(N-(2,2-dimethyl-1-oxopropyl)-L-histidyl)-L-prolyl)-phenylalanyl)amino)-1-hydroxy-4-methylpentyl)-L-leucyl-L-tyrosyl-L-tyrosyl-

Registry Numbers

CAS Registry Number

  • 139890-66-7

System Generated Number

  • 0139890667

Structure Descriptors

InChI

1S/C58H81N11O12/c1-33(2)24-41(63-53(77)45(26-35-12-9-8-10-13-35)66-55(79)48-14-11-23-69(48)56(80)46(29-38-30-60-32-61-38)68-57(81)58(5,6)7)50(74)62-42(25-34(3)4)51(75)64-43(27-36-15-19-39(71)20-16-36)52(76)65-44(28-37-17-21-40(72)22-18-37)54(78)67-47(31-70)49(59)73/h8-10,12-13,15-22,30,32-34,41-48,50,62,70-72,74H,11,14,23-29,31H2,1-7H3,(H2,59,73)(H,60,61)(H,63,77)(H,64,75)(H,65,76)(H,66,79)(H,67,78)(H,68,81)/t41?,42-,43-,44-,45-,46-,47-,48-,50?/m0/s1

InChIKey

IOODFRUCBCPLAP-WRPOBCEFSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N[C@@H]([C@@H](CC(C)C)NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC(C(C)(C)C)=O)Cc1cnc[nH]1)=O)=O)Cc1ccccc1)=O)O)CC(C)C)=O)Cc1ccc(O)cc1)=O)Cc1ccc(O)cc1)=O)CO)(=O)N