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
24721279
SMILES
CCC(C)[C@H]1C(=O)NCC(=O)N[C@@H]2CS(=O)C3=C(C[C@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)C4CN(CC4O)C(=O)[C@H](NC2=O)CC(=O)N)[C@@H](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(C1)C(=O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(=O)N2

Names & Synonyms

  • alpha-amanitin
  • -Amanitin;-Amatoxin
  • alpha-Acetoxy-isobutyryl bromide
  • C39H54N10O14S
  • MFCD00215842
  • 23109-05-9
  • 2-[(1S,4R,12S,15R,33S)-12-[(1R,2R)-2,3-dihydroxy-1-methyl-propyl]-8,21-dihydroxy-2,5,10,13,26,29,32,35,38-nonaoxo-33-sec-butyl-26lambda4-thia-3,6,11,14,24,28,31,34,37-nonazapentacyclo[13.12.11.16,9.017,25.018,23]nonatriaconta-17(25),18(23),19,21-tetraen-4-yl]acetamide
  • 2-[(1S,4R,12S,15R,33S)-33-butan-2-yl-12-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8,21-dihydroxy-2,5,10,13,26,29,32,35,38-nonaoxo-26lambda4-thia-3,6,11,14,24,28,31,34,37-nonazapentacyclo[13.12.11.16,9.017,25.018,23]nonatriaconta-17(25),18(23),19,21-tetraen-4-yl]acetamide