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Substance Name: Phallin B
RN: 57107-81-0
InChIKey: DJEUXSGFHCPANR-UHFFFAOYSA-N

Molecular Formula

  • C41-H52-N8-O9-S

Molecular Weight

  • 832.975
 
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Names and Synonyms

Results Name

  • Phallin B

Synonyms

  • Cyclo(L-alanyl-2-mercapto-L-tryptophyl-4-hydroxy-L-leucyl-L-phenylalanyl-D-threonyl-L-cysteinyl-L-prolyl), cyclic (2-6)-sulfide
  • Phallin B

Systematic Name

  • Phalloidin, 1-L-phenylalanine-4-L-proline-7-(4-hydroxy-L-leucine)-

Registry Numbers

CAS Registry Number

  • 57107-81-0

System Generated Number

  • 0057107810

Structure Descriptors

InChI

1S/C41H52N8O9S/c1-21-33(51)43-28-18-25-24-13-8-9-14-26(24)47-39(25)59-20-30(40(57)49-16-10-15-31(49)37(55)42-21)46-38(56)32(22(2)50)48-35(53)27(17-23-11-6-5-7-12-23)44-36(54)29(45-34(28)52)19-41(3,4)58/h5-9,11-14,21-22,27-32,47,50,58H,10,15-20H2,1-4H3,(H,42,55)(H,43,51)(H,44,54)(H,45,52)(H,46,56)(H,48,53)

InChIKey

DJEUXSGFHCPANR-UHFFFAOYSA-N

Smiles

C1CCN2[C@@H]1C(N[C@@H](C)C(N[C@@H]1C(N[C@@H](C(N[C@@H](C(N[C@@H]([C@@H](O)C)C(=O)N[C@@H](CSc3c(c4ccccc4[nH]3)C1)C2=O)=O)Cc1ccccc1)=O)CC(C)(C)O)=O)=O)=O