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Substance Name: Tetrahydroechinocandin B
RN: 54651-06-8
InChIKey: CSFSSKWGOYOSPM-UHFFFAOYSA-N

Note

  • Cyclic hexapeptide containing fatty acyl side chain; inhibits 1,3-beta-D-glucan synthesis.

Molecular Formula

  • C52-H85-N7-O18

Molecular Weight

  • 1064.2765
 
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Names and Synonyms

Name of Substance

  • Tetrahydroechinocandin B

Synonyms

  • L 687,901
  • L-687901

Systematic Name

  • Echinocandin B, tetrahydro-

Registry Numbers

CAS Registry Number

  • 54651-06-8

System Generated Number

  • 0054651068

Structure Descriptors

InChI

1S/C52H85N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(65)53-35-26-37(64)48(71)57-50(73)42-43(66)29(2)27-59(42)52(75)40(31(4)61)55-49(72)41(45(68)44(67)32-21-23-33(62)24-22-32)56-47(70)36-25-34(63)28-58(36)51(74)39(30(3)60)54-46(35)69/h21-24,29-31,34-37,39-45,48,60-64,66-68,71H,5-20,25-28H2,1-4H3,(H,53,65)(H,54,69)(H,55,72)(H,56,70)(H,57,73)

InChIKey

CSFSSKWGOYOSPM-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(c4ccc(cc4)O)O)O)C(C)O)C)O)O)O