alpha-Amanitin, 4-(6-(hexyloxy)-2-mercapto-L-tryptophan)-
2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-22-hexoxy-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-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-(6-(hexyloxy)-2-mercapto-L-tryptophan)-
| Molecular Formula | C45H66N10O14S |
|---|---|
| Molecular Weight | 1002.44806 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 1002.44806 |
| Monoisotopic Mass | 1002.44806 |
| Heavy Atoms | 70 |
| Complexity | 1950.0 |
Chemical Identifiers
| CAS Number | 79513-36-3 |
|---|---|
| SMILES | CCCCCCOC1=CC2=C(C=C1)C3=C(N2)S(=O)CC4C(=O)NC(C(=O)N5CC(CC5C(=O)NC(C(=O)NC(C3)C(=O)NCC(=O)NC(C(=O)NCC(=O)N4)C(C)CC)C(C)C(CO)O)O)CC(=O)N |
| InChIKey | VSDIMBBVKYCAJV-UHFFFAOYSA-N |
Product Overview
alpha-Amanitin, 4-(6-(hexyloxy)-2-mercapto-L-tryptophan)- (CAS 79513-36-3), with molecular formula C45H66N10O14S and molecular weight 1002.44806 g/mol. IUPAC: 2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-22-hexoxy-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-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-(6-(hexyloxy)-2-mercapto-L-tryptophan)- is a custom synthesis product. We offer services from milligram to kilogram scale.
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