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Substance Name: Win 66306
RN: 151928-32-4
InChIKey: MZGWPVIVGCXMPX-QFXPHGGCSA-N

Note

  • Neurokinin antagonist biologically active at both the human NK1 and NK2 receptor subtypes; isolated from Aspergillus sp. SC230.

Molecular Weight

  • 800.909
 
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Names and Synonyms

Name of Substance

  • Win 66306

Synonym

  • Win-66306

Systematic Name

  • Cyclo(glycyl-L-tryptophyl-L-prolylglycyl-L-valylglycyl-beta-hydroxy-3-(3-methyl-2-butenyl)-L-tyrosyl)

Registry Numbers

CAS Registry Number

  • 151928-32-4

System Generated Number

  • 0151928324

Structure Descriptors

InChI

1S/C41H52N8O9/c1-23(2)11-12-25-16-26(13-14-33(25)51)38(55)31(22-50)47-35(53)20-45-40(57)37(24(3)4)48-36(54)21-44-39(56)32-10-7-15-49(32)41(58)30(46-34(52)18-42)17-27-19-43-29-9-6-5-8-28(27)29/h5-9,11,13-16,19,22,24,30-32,37-38,43,51,55H,10,12,17-18,20-21,42H2,1-4H3,(H,44,56)(H,45,57)(H,46,52)(H,47,53)(H,48,54)/t30-,31+,32-,37-,38+/m0/s1

InChIKey

MZGWPVIVGCXMPX-QFXPHGGCSA-N

Smiles

C([C@@H](NC(CNC([C@@H](NC(CNC([C@H]1N(C=CC1)C([C@@H](NC(CN)=O)Cc1c[nH]c2ccccc12)=O)=O)=O)C(C)C)=O)=O)[C@@H](c1cc(c(O)cc1)C\C=C(\C)C)O)=O