PDB CCD ID: | TYW |
Number of entries in BioLiP: | 0 |
Chemical formula: | C9 H13 N O3 |
InChI: | InChI=1S/C9H13NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8-9,11-13H,5,10H2/t8-/m0/s1 |
InChIKey: | APPGMLFFWAMCJO-QMMMGPOBSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.370 | N[CH](Cc1ccc(O)cc1)C(O)O | OpenEye OEToolkits 1.7.2 | c1cc(ccc1CC(C(O)O)N)O | OpenEye OEToolkits 1.7.2 | c1cc(ccc1C[C@@H](C(O)O)N)O | ACDLabs 12.01 | Oc1ccc(cc1)CC(N)C(O)O | CACTVS 3.370 | N[C@@H](Cc1ccc(O)cc1)C(O)O |
|
Name: | (2S)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol |
ZINC: | ZINC000059869516 |