| PDB CCD ID: | XQC |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H23 N O4 |
| InChI: | InChI=1S/C18H23NO4/c1-18(2,10-12-3-6-14(20)7-4-12)19-11-17(23)13-5-8-15(21)16(22)9-13/h3-9,17,19-23H,10-11H2,1-2H3/t17-/m0/s1 |
| InChIKey: | CTXHFGIUMIBAFO-KRWDZBQOSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(C)(Cc1ccc(O)cc1)NC[C@H](O)c2ccc(O)c(O)c2 | | ACDLabs 12.01 | Oc1ccc(cc1O)C(O)CNC(C)(C)Cc2ccc(O)cc2 | | OpenEye OEToolkits 1.7.6 | CC(C)(Cc1ccc(cc1)O)NC[C@@H](c2ccc(c(c2)O)O)O | | CACTVS 3.385 | CC(C)(Cc1ccc(O)cc1)NC[CH](O)c2ccc(O)c(O)c2 | | OpenEye OEToolkits 1.7.6 | CC(C)(Cc1ccc(cc1)O)NCC(c2ccc(c(c2)O)O)O |
|
| Name: | 4-[(1R)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol |
| ChEMBL: | CHEMBL1160696 |
| ZINC: | ZINC000026731069 |
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