| PDB CCD ID: | A8H |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H15 N O2 |
| InChI: | InChI=1S/C14H15NO2/c16-13-11-7-6-10(8-12(11)14(17)15-13)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,15,16,17)/t10-,11-,12+/m0/s1 |
| InChIKey: | SHLALXCFPAKZHG-SDDRHHMPSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1ccc(cc1)C2CCC3C(C2)C(=O)NC3=O | | CACTVS 3.385 | O=C1NC(=O)[C@@H]2C[C@H](CC[C@H]12)c3ccccc3 | | OpenEye OEToolkits 2.0.6 | c1ccc(cc1)[C@H]2CC[C@H]3[C@@H](C2)C(=O)NC3=O | | CACTVS 3.385 | O=C1NC(=O)[CH]2C[CH](CC[CH]12)c3ccccc3 |
|
| Name: | (3~{a}~{R},5~{S},7~{a}~{S})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione |
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