| PDB CCD ID: | GJT |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C17 H26 N4 O5 |
| InChI: | InChI=1S/C17H26N4O5/c1-4-13(5-2)26-15-7-11(17(24)25)6-14(16(15)18-10(3)23)21-8-12(9-22)19-20-21/h7-8,13-16,22H,4-6,9H2,1-3H3,(H,18,23)(H,24,25)/t14-,15+,16+/m0/s1 |
| InChIKey: | IPVDZUUVRPUAMB-ARFHVFGLSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CCC(CC)O[CH]1C=C(C[CH]([CH]1NC(C)=O)n2cc(CO)nn2)C(O)=O | | CACTVS 3.385 | CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)n2cc(CO)nn2)C(O)=O | | OpenEye OEToolkits 2.0.6 | CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CO)C(=O)O | | OpenEye OEToolkits 2.0.6 | CCC(CC)OC1C=C(CC(C1NC(=O)C)n2cc(nn2)CO)C(=O)O |
|
| Name: | (3~{R},4~{R},5~{S})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid |
| ChEMBL: | CHEMBL4468251 |
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