Phallacidindimethylamide
2-[28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-23-methyl-15,21,24,26,29,32,35-heptaoxo-31-propan-2-yl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-34-yl]-2-hydroxy-N,N-dimethylacetamide
Also Known As: Phallacidindimethylamide|cyclic(L-Alanyl-2-mercapto-L-tryptophyl-4,5-dihydroxy-L-leucyl-L-valyl-2-amino-3-dimethylamido-propanedioyl-L-cysteinyl-cis-4-hydroxy-L-prolyl) cyclic (2-6)-sulfide
| Molecular Formula | C39H55N9O12S |
|---|---|
| Molecular Weight | 873.3691 g/mol |
| LogP | -4.0413 |
| Topological Polar Surface Area | 311.93 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 873.3691 |
| Monoisotopic Mass | 873.3691 |
| Heavy Atoms | 61 |
| Complexity | 2042.2 |
Chemical Identifiers
| CAS Number | 58286-50-3 |
|---|---|
| SMILES | CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C(C)C)C(C(=O)N(C)C)O |
Product Overview
Phallacidindimethylamide (CAS 58286-50-3), with molecular formula C39H55N9O12S and molecular weight 873.3691 g/mol. IUPAC: 2-[28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-23-methyl-15,21,24,26,29,32,35-heptaoxo-31-propan-2-yl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-34-yl]-2-hydroxy-N,N-dimethylacetamide.
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