4-[rel-(3aR,6aR)-5-(tert-butoxycarbonyl)-3a-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]benzoic acid
Chemical Structure Depiction of
4-[rel-(3aR,6aR)-5-(tert-butoxycarbonyl)-3a-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]benzoic acid
4-[rel-(3aR,6aR)-5-(tert-butoxycarbonyl)-3a-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]benzoic acid
Compound characteristics
| Compound ID: | P207-9116 |
| Compound Name: | 4-[rel-(3aR,6aR)-5-(tert-butoxycarbonyl)-3a-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]benzoic acid |
| Molecular Weight: | 583.69 |
| Molecular Formula: | C34 H37 N3 O6 |
| Smiles: | CC(C)(C)OC(N1C[C@H]2CN(C[C@@]2(CNC(=O)OCC2c3ccccc3c3ccccc23)C1)c1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.5612 |
| logD: | 4.166 |
| logSw: | -5.5282 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.26 |
| InChI Key: | QQMLHJBPWDOMKG-GRMGDBHTSA-N |