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Substance Name: Spiruchostatin A
RN: 328548-11-4
UNII: 30Q3VS5HZ4
InChIKey: XFLBOEMFLGLWFF-HDXRNPEWSA-N

Note

  • A potent histone deacetylase inhibitor.

Molecular Formula

  • C20-H31-N3-O6-S2

Molecular Weight

  • 473.6119
 
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Names and Synonyms

Name of Substance

  • Spiruchostatin A

Synonyms

  • Spiruchostatin A
  • UNII-30Q3VS5HZ4
  • YM 753

Systematic Name

  • Cyclo(D-alanyl-D-cysteinyl-(3S,4R)-4-amino-3-hydroxy-5-methylhexanoyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl), cyclic (2-4)-disulfide

Registry Numbers

CAS Registry Number

  • 328548-11-4

FDA UNII

  • 30Q3VS5HZ4

System Generated Number

  • 0328548114

Structure Descriptors

InChI

1S/C20H31N3O6S2/c1-11(2)18-15(24)9-17(26)29-13-6-4-5-7-30-31-10-14(20(28)23-18)22-19(27)12(3)21-16(25)8-13/h4,6,11-15,18,24H,5,7-10H2,1-3H3,(H,21,25)(H,22,27)(H,23,28)/b6-4+/t12-,13-,14-,15+,18-/m1/s1

InChIKey

XFLBOEMFLGLWFF-HDXRNPEWSA-N

Smiles

C[C@@H]1C(=O)N[C@@H]2CSSCC/C=C/[C@H](CC(=O)N1)OC(=O)C[C@@H]([C@H](NC2=O)C(C)C)O