| PDB CCD ID: | JBY |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C14 H15 N3 O4 |
| InChI: | InChI=1S/C14H15N3O4/c1-8(14(20)21)17-12(7-15)16-11(13(17)19)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,20,21)/b11-6-/t8-/m0/s1 |
| InChIKey: | KZUMQCZIDYKIEK-OITNDJBGSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C[C@@H](C(=O)O)N1C(=N/C(=C\c2ccc(cc2)O)/C1=O)CN | | CACTVS 3.385 | C[CH](N1C(=NC(=Cc2ccc(O)cc2)C1=O)CN)C(O)=O | | CACTVS 3.385 | C[C@H](N1C(=NC(=C\c2ccc(O)cc2)/C1=O)CN)C(O)=O | | ACDLabs 12.01 | C1(=NC(\C(=O)N1C(C(=O)O)C)=C/c2ccc(O)cc2)CN | | OpenEye OEToolkits 2.0.6 | CC(C(=O)O)N1C(=NC(=Cc2ccc(cc2)O)C1=O)CN |
|
| Name: | (2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid;
Gly-Ala-Try Chromophore |
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