| PDB CCD ID: | 09A |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H18 N2 O3 |
| InChI: | InChI=1S/C19H18N2O3/c22-17(24-11-13-6-2-1-3-7-13)16-10-19(12-20-16)14-8-4-5-9-15(14)21-18(19)23/h1-9,16,20H,10-12H2,(H,21,23)/t16-,19-/m1/s1 |
| InChIKey: | WDDNNMQSTPFSMZ-VQIMIIECSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.2 | c1ccc(cc1)COC(=O)[C@H]2C[C@@]3(CN2)c4ccccc4NC3=O | | ACDLabs 12.01 | O=C(OCc1ccccc1)C4NCC2(c3c(NC2=O)cccc3)C4 | | CACTVS 3.370 | O=C(OCc1ccccc1)[C@H]2C[C@]3(CN2)C(=O)Nc4ccccc34 | | CACTVS 3.370 | O=C(OCc1ccccc1)[CH]2C[C]3(CN2)C(=O)Nc4ccccc34 | | OpenEye OEToolkits 1.7.2 | c1ccc(cc1)COC(=O)C2CC3(CN2)c4ccccc4NC3=O |
|
| Name: | benzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate |
| ChEMBL: | CHEMBL2181979 |
| ZINC: | ZINC000095579894 |
zhanggroup.org