|
| Ligand ID | A1AU0 |
| InChI | InChI=1S/C19H23NO4/c21-17(14-10-12-6-7-15(14)19(12)8-9-19)20-11-16(18(22)23)24-13-4-2-1-3-5-13/h1-5,12,14-16H,6-11H2,(H,20,21)(H,22,23)/t12-,14?,15-,16+/m0/s1 |
| InChIKey | MJMYSNTUGIKOIH-WWTUQBGBSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)[C@@H](CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1C23CC3)Oc4ccccc4 | | ACDLabs 12.01 | O=C(O)C(Oc1ccccc1)CNC(=O)C1CC2CCC1C12CC1 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)O[C@H](CNC(=O)[C@@H]2C[C@@H]3CC[C@H]2C34CC4)C(=O)O | | CACTVS 3.385 | OC(=O)[CH](CNC(=O)[CH]1C[CH]2CC[CH]1C23CC3)Oc4ccccc4 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)OC(CNC(=O)C2CC3CCC2C34CC4)C(=O)O |
|
| Formula | C19 H23 N O4 |
| Name | (2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 9c81 Chain A Residue 401
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
