Chemical Compound

alpha-amanitin

CAS Registry Number 23109-05-9
alpha-amanitin chemical structure
Primary Record

alpha-amanitin

In stock
4,462 g
Purity
99.6 %
CAS
23109-05-9

Compound Identifiers & Properties

CAS
23109-05-9
PubChem CID
20054823
SMILES
CCC(C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S@@](=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4CC(CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)C(C)[C@H](CO)O)C5=C(N3)C=C(C=C5)O
Canonical SMILES
CCC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4cc(O)ccc34)[S@](=O)C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(O)C[C@H]1C(=O)N[C@@H](C(C)[C@@H](O)CO)C(=O)N2

Names & Synonyms

  • alpha-amanitin
  • alpha-Amanitine
  • alpha-Amatoxin
  • .alpha.-Amanitin
  • SCHEMBL71812
  • UNII-E04K0QZ999
  • DTXSID1036709
  • SCHEMBL29534074
  • HSDB 3458
  • C39H54N10O14S
  • EINECS 245-432-2
  • BRN 1071138
  • C39-H54-N10-O14-S
  • 23109-05-9
  • 2-[(1R,4S,10S,13S,16S,27R,34S)-34-Butan-2-yl-13-[(3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide
  • 2-[(6S,9R,11R,18S,21S,23aS,29S)-29-(Butan-2-yl)-21-[(3R)-3,4-dihydroxybutan-2-yl]-2,14-dihydroxy-5,8,11,20,23,24,27,30,33-nonaoxo-2,3,5,6,7,8,9,10,11,12,17,18,19,20,21,22,23,23a-octadecahydro-1H-9,18-(epiminoethanoiminoethanoiminoethanoiminomethano)-11lambda~4~-pyrrolo[1',2':8,9][1,5,8,11,14]thiatetraazacyclooctadecino[18,17-b]indol-6-yl]acetamide
  • Cyclic(L-asparaginyl-4-hydroxy-L-prolyl-(R)-4,5-dihydroxy-L-isoleucyl-6-hydroxy-2-mercapto-L-tryptophylglycyl-L-isoleucylglycyl-L-cysteinyl), cyclic (4-8)-sulfide, (R)-S-oxide