4-[rel-(3aR,6aR)-3a-{[(tert-butoxycarbonyl)amino]methyl}-5-{[(9H-fluoren-9-yl)methoxy]carbonyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]benzoic acid
Chemical Structure Depiction of
4-[rel-(3aR,6aR)-3a-{[(tert-butoxycarbonyl)amino]methyl}-5-{[(9H-fluoren-9-yl)methoxy]carbonyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]benzoic acid
4-[rel-(3aR,6aR)-3a-{[(tert-butoxycarbonyl)amino]methyl}-5-{[(9H-fluoren-9-yl)methoxy]carbonyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]benzoic acid
Compound characteristics
| Compound ID: | P207-9115 |
| Compound Name: | 4-[rel-(3aR,6aR)-3a-{[(tert-butoxycarbonyl)amino]methyl}-5-{[(9H-fluoren-9-yl)methoxy]carbonyl}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(NC[C@@]12CN(C[C@H]2CN(C1)c1ccc(cc1)C(O)=O)C(=O)OCC1c2ccccc2c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.6822 |
| logD: | 4.287 |
| logSw: | -5.5171 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.26 |
| InChI Key: | OMISPHZJGOZULG-GRMGDBHTSA-N |