(3RS)-2-{[(1RS)-1-carboxy-2-phenylethyl]carbamoyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Chemical Structure Depiction of
(3RS)-2-{[(1RS)-1-carboxy-2-phenylethyl]carbamoyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
(3RS)-2-{[(1RS)-1-carboxy-2-phenylethyl]carbamoyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | Y042-8093 |
| Compound Name: | (3RS)-2-{[(1RS)-1-carboxy-2-phenylethyl]carbamoyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
| Molecular Weight: | 368.39 |
| Molecular Formula: | C20 H20 N2 O5 |
| Smiles: | C(c1ccccc1)[C@@H](C(O)=O)NC(N1Cc2ccccc2C[C@H]1C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4849 |
| logD: | -1.8009 |
| logSw: | -1.8394 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.832 |
| InChI Key: | VEKOJSRNQVRNOJ-IRXDYDNUSA-N |