PDB CCD ID: | XDE |
Number of entries in BioLiP: | 1 |
Chemical formula: | C9 H13 N O3 |
InChI: | InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m1/s1 |
InChIKey: | UCTWMZQNUQWSLP-SECBINFHSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.6 | CNC[C@H](c1ccc(c(c1)O)O)O | CACTVS 3.370 | CNC[C@@H](O)c1ccc(O)c(O)c1 | OpenEye OEToolkits 1.7.6 | CNCC(c1ccc(c(c1)O)O)O | CACTVS 3.370 | CNC[CH](O)c1ccc(O)c(O)c1 | ACDLabs 12.01 | Oc1ccc(cc1O)C(O)CNC |
|
Name: | 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol |
ChEMBL: | CHEMBL42280 |
ZINC: | ZINC000000039090 |