alpha-Amanitin, 4-(2-mercapto-6-(2-oxopropoxy)-L-tryptophan)-
2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-22-(2-oxopropoxy)-27λ4-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
Also Known As: alpha-Amanitin, 4-(2-mercapto-6-(2-oxopropoxy)-L-tryptophan)-
| Molecular Formula | C42H58N10O15S |
|---|---|
| Molecular Weight | 974.3804 g/mol |
| LogP | -4.3 |
| Topological Polar Surface Area | 406.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 974.3804 |
| Monoisotopic Mass | 974.3804 |
| Heavy Atoms | 68 |
| Complexity | 1980.0 |
Chemical Identifiers
| CAS Number | 79513-27-2 |
|---|---|
| SMILES | CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)OCC(=O)C |
| InChIKey | FVNUSSDRNDYGAO-UHFFFAOYSA-N |
Product Overview
alpha-Amanitin, 4-(2-mercapto-6-(2-oxopropoxy)-L-tryptophan)- (CAS 79513-27-2), with molecular formula C42H58N10O15S and molecular weight 974.3804 g/mol. IUPAC: 2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-22-(2-oxopropoxy)-27λ4-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.
alpha-Amanitin, 4-(2-mercapto-6-(2-oxopropoxy)-L-tryptophan)- is a custom synthesis product. We offer services from milligram to kilogram scale.
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