rel-(9aR,11R,12aS)-N-[2-(1H-indol-3-yl)ethyl]-1-[(5-methylfuran-2-yl)methyl]-9-oxotetradecahydrocyclopenta[b][1,5]diazacycloundecine-11-carboxamide
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-N-[2-(1H-indol-3-yl)ethyl]-1-[(5-methylfuran-2-yl)methyl]-9-oxotetradecahydrocyclopenta[b][1,5]diazacycloundecine-11-carboxamide
rel-(9aR,11R,12aS)-N-[2-(1H-indol-3-yl)ethyl]-1-[(5-methylfuran-2-yl)methyl]-9-oxotetradecahydrocyclopenta[b][1,5]diazacycloundecine-11-carboxamide
Compound characteristics
| Compound ID: | S731-1691 |
| Compound Name: | rel-(9aR,11R,12aS)-N-[2-(1H-indol-3-yl)ethyl]-1-[(5-methylfuran-2-yl)methyl]-9-oxotetradecahydrocyclopenta[b][1,5]diazacycloundecine-11-carboxamide |
| Molecular Weight: | 490.65 |
| Molecular Formula: | C29 H38 N4 O3 |
| Smiles: | Cc1ccc(CN2CCCCCCNC([C@@H]3C[C@H](C[C@H]23)C(NCCc2c[nH]c3ccccc23)=O)=O)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5451 |
| logD: | 1.6357 |
| logSw: | -3.5613 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.512 |
| InChI Key: | WXMYEVCMISENLP-JBBQQGGESA-N |