| PDB CCD ID: | D40 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C22 H24 N2 O3 |
| InChI: | InChI=1S/C22H24N2O3/c1-21(2,3)27-20(26)24-14-13-22(18(24)15-9-5-4-6-10-15)16-11-7-8-12-17(16)23-19(22)25/h4-12,18H,13-14H2,1-3H3,(H,23,25)/t18-,22-/m0/s1 |
| InChIKey: | FXVLEOBGAHQNAI-AVRDEDQJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(C)(C)OC(=O)N1CCC2(C1c3ccccc3)c4ccccc4NC2=O | | CACTVS 3.385 | CC(C)(C)OC(=O)N1CC[C]2([CH]1c3ccccc3)C(=O)Nc4ccccc24 | | OpenEye OEToolkits 2.0.7 | CC(C)(C)OC(=O)N1CC[C@@]2([C@@H]1c3ccccc3)c4ccccc4NC2=O | | CACTVS 3.385 | CC(C)(C)OC(=O)N1CC[C@]2([C@@H]1c3ccccc3)C(=O)Nc4ccccc24 |
|
| Name: | ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-phenyl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate |
umich.edu