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Substance Name: Sch 52901
RN: 174285-72-4
InChIKey: BNGCIRYZSMUYSN-PYAWLFMLSA-N

Note

  • A diketopiperazine; inhibits c-fos proto-oncogene induction; isolated from Gliocladium sp.

Molecular Formula

  • C31-H30-N6-O6-S4

Molecular Weight

  • 710.878
 
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Names and Synonyms

Results Name

  • Sch 52901

Synonym

  • Sch 52901

Systematic Name

  • Chaetocin, 2-de(hydroxymethyl)-19'-deoxy-2-ethyl-6,6'-dihydroxy-, (6S,6'S,7S,7'S)-

Registry Numbers

CAS Registry Number

  • 174285-72-4

System Generated Number

  • 0174285724

Structure Descriptors

InChI

1S/C31H30N6O6S4/c1-5-27-23(41)37-21-29(15-11-7-9-13-17(15)33-21,19(39)31(37,47-45-27)25(43)35(27)4)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(3)24(42)30(36,18(28)38)46-44-26/h6-13,18-21,32-33,38-39H,5H2,1-4H3/t18-,19-,20+,21-,26-,27-,28-,29+,30-,31-/m0/s1

InChIKey

BNGCIRYZSMUYSN-PYAWLFMLSA-N

Smiles

CC[C@]12SS[C@@]3([C@@H](O)[C@]4([C@@H](Nc5ccccc45)N3C1=O)[C@@]67[C@H](Nc8ccccc68)N9C(=O)[C@]%10(C)SS[C@@]9([C@H]7O)C(=O)N%10C)C(=O)N2C