actinomycin D-dATGCAT complex structure
|
Common Name | actinomycin D-dATGCAT complex | ||
|---|---|---|---|---|
| CAS Number | 53360-01-3 | Molecular Weight | N/A | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C180H236N56O84P10 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 2-amino-N,N'-bis(3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarboxamide; [(2R,3R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[(2R,5R)-2-[[[(2R,3S,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
|---|
| Molecular Formula | C180H236N56O84P10 |
|---|---|
| InChIKey | TYHGOBNRIONSAQ-LHEMYKEMSA-N |
| SMILES | Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O.Cc1cn(C2CC(O)C(COP(=O)(O)OC3CC(n4cnc5c(N)ncnc54)OC3COP(=O)(O)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)OC3CC(n4cnc5c(N)ncnc54)OC3CO)O2)c(=O)[nH]c1=O.Cc1cn(C2CC(O)C(COP(=O)(O)OC3CC(n4cnc5c(N)ncnc54)OC3COP(=O)(O)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)OC3CC(n4cnc5c(N)ncnc54)OC3CO)O2)c(=O)[nH]c1=O |