| PDB CCD ID: | ZH4 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H17 N3 O4 |
| InChI: | InChI=1S/C21H17N3O4/c1-14(25)19(21(27)24-28)23-20(26)17-11-9-15(10-12-17)5-2-3-6-16-7-4-8-18(22)13-16/h4,7-14,19,25H,22H2,1H3,(H,23,26)/t14-,19+/m1/s1 |
| InChIKey: | HOPLGMFTTVLMDZ-KUHUBIRLSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc2cccc(N)c2)C(=O)N=O | | CACTVS 3.370 | C[CH](O)[CH](NC(=O)c1ccc(cc1)C#CC#Cc2cccc(N)c2)C(=O)N=O | | OpenEye OEToolkits 1.7.0 | C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2cccc(c2)N)O | | OpenEye OEToolkits 1.7.0 | CC(C(C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2cccc(c2)N)O | | ACDLabs 12.01 | O=NC(=O)C(NC(=O)c2ccc(C#CC#Cc1cc(N)ccc1)cc2)C(O)C |
|
| Name: | 4-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide |
| ZINC: | ZINC000064746719 |
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