| PDB CCD ID: | 3U2 |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C14 H19 N O4 |
| InChI: | InChI=1S/C14H19NO4/c1-8-10(7-11(16)13(18)12(8)17)15-14(19)9-5-3-2-4-6-9/h2-6,8,10-13,16-18H,7H2,1H3,(H,15,19)/t8-,10+,11-,12-,13+/m1/s1 |
| InChIKey: | LSIKOCGDCMQNSQ-GIVNFFOOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | C[C@@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)NC(=O)c2ccccc2 | | CACTVS 3.385 | C[CH]1[CH](O)[CH](O)[CH](O)C[CH]1NC(=O)c2ccccc2 | | CACTVS 3.385 | C[C@H]1[C@@H](O)[C@@H](O)[C@H](O)C[C@@H]1NC(=O)c2ccccc2 | | OpenEye OEToolkits 1.9.2 | CC1C(CC(C(C1O)O)O)NC(=O)c2ccccc2 | | ACDLabs 12.01 | O=C(NC1C(C(O)C(O)C(O)C1)C)c2ccccc2 |
|
| Name: | N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide |
| ZINC: | ZINC000263620718 |
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