| PDB CCD ID: | PQY |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H24 N6 O4 |
| InChI: | InChI=1S/C13H24N6O4/c20-12(10-16-22)14-2-6-18-4-1-5-19(9-8-18)7-3-15-13(21)11-17-23/h10-11,22-23H,1-9H2,(H,14,20)(H,15,21)/b16-10+,17-11+ |
| InChIKey: | DFNMYOZHKNITMF-OTYYAQKOSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O\N=C\C(=O)NCCN1CCCN(CCNC(=O)\C=N\O)CC1 | | ACDLabs 12.01 | N1(CCNC(\C=N\O)=O)CCN(CCNC([C@H]=NO)=O)CCC1 | | OpenEye OEToolkits 2.0.7 | C1CN(CCN(C1)CCNC(=O)C=NO)CCNC(=O)C=NO | | OpenEye OEToolkits 2.0.7 | C1CN(CCN(C1)CCNC(=O)/C=N/O)CCNC(=O)/C=N/O | | CACTVS 3.385 | ON=CC(=O)NCCN1CCCN(CCNC(=O)C=NO)CC1 |
|
| Name: | (2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide] |
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