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Substance Name: PD 145065
RN: 153049-49-1
InChIKey: HRAQSWKGRRUBDJ-OMUAVVNCSA-N

Note

  • A non-selective endothelin(A)/endothelin(B) antagonist.

Molecular Formula

  • C52-H67-N7-O10

Molecular Weight

  • 950.14
 
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Names and Synonyms

Name of Substance

  • PD 145065

Synonyms

  • Ac-(5H-Dibenzyl(a,d)cycloheptene-10,11-dihydroglycine-leu-asp-ile-ile-trp)
  • Acetyl-(5H-dibenzyl(a,d)cycloheptene-10,11-dihydroglycine-leucyl-aspartyl-isoleucyl-isoleucyl-tryptophan)
  • N-(N-(N-(N-(N-(N-Acetyl-D-2-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)glycyl)-L-leucyl)-L-alpha-aspartyl)-L-isoleucyl)-L-isoleucyl)-L-tryptopha
  • PD-145065

Systematic Name

  • L-Tryptopha, N-(N-(N-(N-(N-(N-acetyl-D-2-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)glycyl)-L-leucyl)-L-alpha-aspartyl)-L-isoleucyl)-L-isoleucyl)-

Registry Numbers

CAS Registry Number

  • 153049-49-1

System Generated Number

  • 0153049491

Structure Descriptors

InChI

1S/C52H67N7O10/c1-8-29(5)44(49(65)57-41(52(68)69)25-34-27-53-38-21-15-14-18-35(34)38)59-50(66)45(30(6)9-2)58-48(64)40(26-42(61)62)55-47(63)39(24-28(3)4)56-51(67)46(54-31(7)60)43-36-19-12-10-16-32(36)22-23-33-17-11-13-20-37(33)43/h10-21,27-30,39-41,43-46,53H,8-9,22-26H2,1-7H3,(H,54,60)(H,55,63)(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,61,62)(H,68,69)/t29-,30-,39-,40-,41-,44-,45-,46+/m0/s1

InChIKey

HRAQSWKGRRUBDJ-OMUAVVNCSA-N

Smiles

C1([C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)Cc2c[nH]c3c2cccc3)=O)[C@H](CC)C)=O)[C@H](CC)C)=O)CC(=O)O)=O)CC(C)C)=O)NC(=O)C)c2c(CCc3c1cccc3)cccc2