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Substance Name: WS 009B
RN: 136286-50-5
InChIKey: JTSMUTXXQIUBJR-FJOZLUQASA-N

Note

  • Endothelin receptor antagonist; from Streptomyces sp. No. 89009.

Molecular Formula

  • C24-H25-N-O11-S

Molecular Weight

  • 535.523
 
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Names and Synonyms

Name of Substance

  • WS 009B

Synonyms

  • FR 901367
  • WS-009B

Systematic Name

  • L-Cysteine, N-acetyl-S-(4,4a,5,6,7,12,12a,12b-octahydro-4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxobenz(a)anthracen-6a(1H)-yl)-

Registry Numbers

CAS Registry Number

  • 136286-50-5

System Generated Number

  • 0136286505

Structure Descriptors

InChI

1S/C24H25NO11S/c1-10-6-15(28)23(35)21(34,7-10)8-16(29)22(37-9-13(20(32)33)25-11(2)26)19(31)17-12(4-3-5-14(17)27)18(30)24(22,23)36/h3-6,13,16,27,29,34-36H,7-9H2,1-2H3,(H,25,26)(H,32,33)/t13-,16?,21?,22?,23?,24?/m0/s1

InChIKey

JTSMUTXXQIUBJR-FJOZLUQASA-N

Smiles

C([C@@H](NC(=O)C)CS[C@@]12[C@@H](C[C@@]3([C@@]([C@@]2(C(c2cccc(c2C1=O)O)=O)O)(C(C=C(C3)C)=O)O)O)O)(=O)O