PDB CCD ID: | IM3 |
Number of entries in BioLiP: | 4 |
Chemical formula: | C9 H9 N O4 |
InChI: | InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,10-12H,3H2,(H,13,14)/b10-6+ |
InChIKey: | VFINRVRRNHRWEQ-UXBLZVDNSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | OC(=O)C(=N)Cc1ccc(O)c(O)c1 | OpenEye OEToolkits 1.5.0 | [H]N=C(Cc1ccc(c(c1)O)O)C(=O)O | OpenEye OEToolkits 1.5.0 | [H]/N=C(\Cc1ccc(c(c1)O)O)/C(=O)O | ACDLabs 10.04 | O=C(O)C(=[N@H])Cc1cc(O)c(O)cc1 |
|
Name: | (2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID; IMINO-DOPA |
DrugBank: | DB07979 |