| PDB CCD ID: | F28 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H22 N2 O2 |
| InChI: | InChI=1S/C21H22N2O2/c24-15-22-13-11-18(12-14-22)23-20(17-9-5-2-6-10-17)19(21(23)25)16-7-3-1-4-8-16/h1-10,15,18-20H,11-14H2/t19-,20+/m1/s1 |
| InChIKey: | DIWMCVCOMCANGI-UXHICEINSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc(cc1)[C@@H]2[C@H](N(C2=O)C3CCN(CC3)C=O)c4ccccc4 | | CACTVS 3.385 | O=CN1CCC(CC1)N2[CH]([CH](C2=O)c3ccccc3)c4ccccc4 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)C2C(N(C2=O)C3CCN(CC3)C=O)c4ccccc4 | | CACTVS 3.385 | O=CN1CCC(CC1)N2[C@H]([C@@H](C2=O)c3ccccc3)c4ccccc4 |
|
| Name: | 4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde |
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