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Substance Name: Emd 55068
RN: 126784-34-7
InChIKey: BKSNOOPXMCZMDE-IPOFPIEFSA-N

Note

  • A synthetic renin antagonist.

Molecular Formula

  • C41-H65-N9-O6

Molecular Weight

  • 780.0215
 
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Names and Synonyms

Name of Substance

  • Emd 55068

Synonym

  • Emd-55068

Systematic Name

  • L-threo-Pentonamide, N-(1-((((3-amino-5,6-dimethylpyrazinyl)methyl)amino)carbonyl)-2-methylbutyl)-4-((N-(N-(6-amino-1-oxohexyl)-L-phenylalanyl)glycyl)amino)-, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 126784-34-7

System Generated Number

  • 0126784347

Structure Descriptors

InChI

1S/C41H65N9O6/c1-5-26(2)38(41(56)44-24-33-39(43)47-28(4)27(3)46-33)50-36(53)23-34(51)31(21-29-15-9-6-10-16-29)48-37(54)25-45-40(55)32(22-30-17-11-7-12-18-30)49-35(52)19-13-8-14-20-42/h7,11-12,17-18,26,29,31-32,34,38,51H,5-6,8-10,13-16,19-25,42H2,1-4H3,(H2,43,47)(H,44,56)(H,45,55)(H,48,54)(H,49,52)(H,50,53)/t26-,31-,32-,34-,38-/m0/s1

InChIKey

BKSNOOPXMCZMDE-IPOFPIEFSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)NCc1c(nc(c(n1)C)C)N)NC(=O)C[C@@H]([C@H](CC2CCCCC2)NC(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCCN)O