| PDB CCD ID: | KWS |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C9 H13 N3 O4 |
| InChI: | InChI=1S/C9H13N3O4/c1-4-9(16)12(3-6(14)15)8(11-4)7(10)5(2)13/h5,7,13H,1,3,10H2,2H3,(H,14,15)/t5-,7+/m1/s1 |
| InChIKey: | XVNVRKWEENONTK-VDTYLAMSSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | CC(C(C1=NC(=C)C(=O)N1CC(=O)O)N)O | | CACTVS 3.370 | C[CH](O)[CH](N)C1=NC(=C)C(=O)N1CC(O)=O | | ACDLabs 12.01 | O=C1C(\N=C(N1CC(=O)O)C(N)C(O)C)=C | | OpenEye OEToolkits 1.7.6 | C[C@H]([C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N)O | | CACTVS 3.370 | C[C@@H](O)[C@H](N)C1=NC(=C)C(=O)N1CC(O)=O |
|
| Name: | {2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
PEPTIDE DERIVED CHROMOPHORE |
| ZINC: | ZINC000098209093 |
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