N-(5-acetamido-2-methoxyphenyl)-N~2~-[rel-(7R)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]isoleucinamide
Chemical Structure Depiction of
N-(5-acetamido-2-methoxyphenyl)-N~2~-[rel-(7R)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]isoleucinamide
N-(5-acetamido-2-methoxyphenyl)-N~2~-[rel-(7R)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]isoleucinamide
Compound characteristics
| Compound ID: | Y043-7168 |
| Compound Name: | N-(5-acetamido-2-methoxyphenyl)-N~2~-[rel-(7R)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]isoleucinamide |
| Molecular Weight: | 660.77 |
| Molecular Formula: | C36 H44 N4 O8 |
| Smiles: | CC[C@@H](C)[C@@H](C(Nc1cc(ccc1OC)NC(C)=O)=O)NC1=CC=C2C(=CC1=O)[C@H](CCc1cc(c(c(c12)OC)OC)OC)NC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3535 |
| logD: | 3.3535 |
| logSw: | -3.7426 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 125.669 |
| InChI Key: | QJYABHDZOYUHFZ-WQRXYAMFSA-N |