rel-(9aR,11R,12aS)-1-(furan-2-carbonyl)-N-[2-(1H-indol-3-yl)ethyl]-9-oxotetradecahydrocyclopenta[b][1,5]diazacycloundecine-11-carboxamide
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-1-(furan-2-carbonyl)-N-[2-(1H-indol-3-yl)ethyl]-9-oxotetradecahydrocyclopenta[b][1,5]diazacycloundecine-11-carboxamide
rel-(9aR,11R,12aS)-1-(furan-2-carbonyl)-N-[2-(1H-indol-3-yl)ethyl]-9-oxotetradecahydrocyclopenta[b][1,5]diazacycloundecine-11-carboxamide
Compound characteristics
| Compound ID: | S731-1632 |
| Compound Name: | rel-(9aR,11R,12aS)-1-(furan-2-carbonyl)-N-[2-(1H-indol-3-yl)ethyl]-9-oxotetradecahydrocyclopenta[b][1,5]diazacycloundecine-11-carboxamide |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C28 H34 N4 O4 |
| Smiles: | C1CCCN(C(c2ccco2)=O)[C@H]2C[C@@H](C[C@H]2C(NCC1)=O)C(NCCc1c[nH]c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6198 |
| logD: | 2.6198 |
| logSw: | -2.9651 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.578 |
| InChI Key: | FIDXUDWCPPGULI-FJIJXJHWSA-N |