| PDB CCD ID: | A1BE5 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C14 H15 N3 O4 |
| InChI: | InChI=1S/C14H15N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,19,20)/b11-6+/t8-/m0/s1 |
| InChIKey: | UMPNJELZAAOGQG-KIFNTFBYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 14.52 | O=C1C(\N=C(C(C)N)N1CC(O)=O)=C/c1ccc(O)cc1 | | OpenEye OEToolkits 3.1.0.0 | CC(C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O)N | | CACTVS 3.385 | C[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O | | OpenEye OEToolkits 3.1.0.0 | C[C@@H](C1=N/C(=C/c2ccc(cc2)O)/C(=O)N1CC(=O)O)N | | CACTVS 3.385 | C[C@H](N)C1=N/C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O |
|
| Name: | {(4E)-2-[(1S)-1-aminoethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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