N-[rel-(7R)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]methionine
Chemical Structure Depiction of
N-[rel-(7R)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]methionine
N-[rel-(7R)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]methionine
Compound characteristics
| Compound ID: | Y043-7886 |
| Compound Name: | N-[rel-(7R)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]methionine |
| Molecular Weight: | 516.61 |
| Molecular Formula: | C26 H32 N2 O7 S |
| Smiles: | CC(N[C@H]1CCc2cc(c(c(c2C2=CC=C(C(C=C12)=O)N[C@@H](CCSC)C(O)=O)OC)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0074 |
| logD: | -1.8496 |
| logSw: | -1.8555 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.069 |
| InChI Key: | MBLQSVMQFNCPKQ-ICSRJNTNSA-N |