5-benzyl-1-(2-carboxyethyl)-3-(2,4-dihydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Chemical Structure Depiction of
5-benzyl-1-(2-carboxyethyl)-3-(2,4-dihydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
5-benzyl-1-(2-carboxyethyl)-3-(2,4-dihydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Compound characteristics
| Compound ID: | 8012-9491 |
| Compound Name: | 5-benzyl-1-(2-carboxyethyl)-3-(2,4-dihydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid |
| Molecular Weight: | 454.44 |
| Molecular Formula: | C23 H22 N2 O8 |
| Smiles: | C(CC1(C2C(C(c3ccc(cc3O)O)N1)C(N(Cc1ccccc1)C2=O)=O)C(O)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6113 |
| logD: | -2.5047 |
| logSw: | -1.8401 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 133.992 |
| InChI Key: | PMPVVVIIXMDOEB-UHFFFAOYSA-N |