PDB CCD ID: | ZTC |
Number of entries in BioLiP: | 0 |
Chemical formula: | C10 H13 N O4 |
InChI: | InChI=1S/C10H13NO4/c1-14-7-3-6(9(11)10(12)13)4-8(5-7)15-2/h3-5,9H,11H2,1-2H3,(H,12,13)/t9-/m0/s1 |
InChIKey: | PUDUIVFPKSOBOR-VIFPVBQESA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | COc1cc(OC)cc(c1)[CH](N)C(O)=O | ACDLabs 12.01 | COc1cc(cc(OC)c1)C(N)C(=O)O | OpenEye OEToolkits 2.0.7 | COc1cc(cc(c1)OC)C(C(=O)O)N | OpenEye OEToolkits 2.0.7 | COc1cc(cc(c1)OC)[C@@H](C(=O)O)N | CACTVS 3.385 | COc1cc(OC)cc(c1)[C@H](N)C(O)=O |
|
Name: | (2S)-amino(3,5-dimethoxyphenyl)acetic acid |
ZINC: | ZINC000004202366 |