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Substance Name: Bis((9-acridinyl)seryl-alanyl-cysteinyl-valine)dilactone disulfide
RN: 95676-71-4
InChIKey: ULWPHLPBZICZKK-UHFFFAOYSA-N

Note

  • Bisacridinyl peptidic analog of triostin A.

Molecular Formula

  • C54-H60-N10-O10-S2

Molecular Weight

  • 1073.26
 
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Names and Synonyms

Name of Substance

  • Bis((9-acridinyl)seryl-alanyl-cysteinyl-valine)dilactone disulfide

Synonyms

  • Basacv
  • Bis((9-acridinyl)ser-ala-cys-val)dilactone disulfide

Systematic Names

  • L-Valine, N-9-acridinyl-D-seryl-L-alanyl-L-cysteinyl-, (2S-(2alpha(R*),5alpha,6beta(1R*,2R*,3R*,4R*,5R*,6S*,9E,11S*,12S*,13E,15S*)))-
  • L-Valine, N-9-acridinyl-D-seryl-L-alanyl-L-cysteinyl-, bimol. lactone, cyclic (3-3')-disulfide

Registry Numbers

CAS Registry Number

  • 95676-71-4

System Generated Number

  • 0095676714

Structure Descriptors

InChI

1S/C54H60N10O10S2/c1-27(2)43-53(71)73-23-39(59-45-31-15-7-11-19-35(31)57-36-20-12-8-16-32(36)45)49(67)55-30(6)48(66)62-42-26-76-75-25-41(51(69)63-43)61-47(65)29(5)56-50(68)40(24-74-54(72)44(28(3)4)64-52(42)70)60-46-33-17-9-13-21-37(33)58-38-22-14-10-18-34(38)46/h7-22,27-30,39-44H,23-26H2,1-6H3,(H,55,67)(H,56,68)(H,57,59)(H,58,60)(H,61,65)(H,62,66)(H,63,69)(H,64,70)

InChIKey

ULWPHLPBZICZKK-UHFFFAOYSA-N

Smiles

c1ccc2c(c(c3c(n2)cccc3)N[C@@H]2COC([C@@H](NC([C@@H]3NC(=O)[C@@H](NC([C@@H](COC([C@@H](C(C)C)NC([C@@H](NC(=O)[C@@H](C)NC2=O)CSSC3)=O)=O)Nc2c3c(nc4c2cccc4)cccc3)=O)C)=O)C(C)C)=O)c1