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Substance Name: YM 21095
RN: 119832-19-8
InChIKey: RWKUHCPMOHGXNC-UHFFFAOYSA-N

Note

  • A renin antagonist.

Molecular Formula

  • C37-H49-N9-O5-S

Molecular Weight

  • 731.918
 
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Names and Synonyms

Name of Substance

  • YM 21095

Synonyms

  • 3-(Nalpha-(1,4-dioxo-4-morpholino-2-(1-naphthylmethyl)butyl)histidylamino)-4-cyclohexyl-1-((1-methyl-5-tetrazolyl)thio)-2-butanol
  • YM-21095

Systematic Name

  • 4-Morpholinebutanamide, N-(2-((1-(cyclohexylmethyl)-2-hydroxy-3-((1-methyl-1H-tetrazol-5-yl)thio)propyl)amino)-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl)-alpha-(1-naphthalenylmethyl)-gamma-oxo-

Registry Numbers

CAS Registry Number

  • 119832-19-8

System Generated Number

  • 0119832198

Structure Descriptors

InChI

1S/C37H49N9O5S/c1-45-37(42-43-44-45)52-23-33(47)31(18-25-8-3-2-4-9-25)40-36(50)32(21-29-22-38-24-39-29)41-35(49)28(20-34(48)46-14-16-51-17-15-46)19-27-12-7-11-26-10-5-6-13-30(26)27/h5-7,10-13,22,24-25,28,31-33,47H,2-4,8-9,14-21,23H2,1H3,(H,38,39)(H,40,50)(H,41,49)

InChIKey

RWKUHCPMOHGXNC-UHFFFAOYSA-N

Smiles

C1CN(CCO1)C(C[C@@H](C(=O)N[C@@H](C(=O)N[C@@H]([C@@H](CSc1nnnn1C)O)CC1CCCCC1)Cc1nc[nH]c1)Cc1cccc2ccccc12)=O