| PDB CCD ID: | MJ1 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C15 H15 F2 N3 O5 |
| InChI: | InChI=1S/C15H15F2N3O5/c1-6(21)13(18)14-19-8(15(25)20(14)5-10(23)24)4-7-2-3-9(22)12(17)11(7)16/h2-4,6,13,21-22H,5,18H2,1H3,(H,23,24)/b8-4-/t6-,13+/m1/s1 |
| InChIKey: | LFWWOBUEEPZQHA-IVTRNPMTSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@@H](O)[C@H](N)C1=NC(=C\c2ccc(O)c(F)c2F)/C(=O)N1CC(O)=O | | ACDLabs 12.01 | C1(=NC(C(N1CC(O)=O)=O)=[C@H]c2c(c(F)c(cc2)O)F)C(C(O)C)N | | OpenEye OEToolkits 2.0.7 | CC(C(C1=NC(=Cc2ccc(c(c2F)F)O)C(=O)N1CC(=O)O)N)O | | CACTVS 3.385 | C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)c(F)c2F)C(=O)N1CC(O)=O | | OpenEye OEToolkits 2.0.7 | C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2F)F)O)/C(=O)N1CC(=O)O)N)O |
|
| Name: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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