PDB CCD ID: | 02V |
Number of entries in BioLiP: | 0 |
Chemical formula: | C9 H11 N O4 |
InChI: | InChI=1S/C9H11NO4/c1-10-8(9(13)14)5-2-3-6(11)7(12)4-5/h2-4,8,10-12H,1H3,(H,13,14)/t8-/m0/s1 |
InChIKey: | PGFNASLHURMLBI-QMMMGPOBSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.370 | CN[CH](C(O)=O)c1ccc(O)c(O)c1 | CACTVS 3.370 | CN[C@H](C(O)=O)c1ccc(O)c(O)c1 | ACDLabs 12.01 | O=C(O)C(c1cc(O)c(O)cc1)NC | OpenEye OEToolkits 1.7.2 | CNC(c1ccc(c(c1)O)O)C(=O)O | OpenEye OEToolkits 1.7.2 | CN[C@@H](c1ccc(c(c1)O)O)C(=O)O |
|
Name: | (2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid |
ZINC: | ZINC000098207751 |