| PDB CCD ID: | QED |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C25 H28 N6 O9 |
| InChI: | InChI=1S/C25H28N6O9/c32-19-7-1-4-16(22(19)35)23(36)26-10-13-29(14-11-27-24(37)17-5-2-8-20(33)30(17)39)15-12-28-25(38)18-6-3-9-21(34)31(18)40/h1-9,32,35,39-40H,10-15H2,(H,26,36)(H,27,37)(H,28,38) |
| InChIKey: | UPWYYPIMZVCQNS-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 11.02 | O=C3C=CC=C(C(=O)NCCN(CCNC(=O)c1cccc(O)c1O)CCNC(=O)C2=CC=CC(=O)N2O)N3O | | CACTVS 3.352 | ON1C(=O)C=CC=C1C(=O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O)CCNC(=O)c3cccc(O)c3O | | OpenEye OEToolkits 1.7.0 | c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O)CCNC(=O)C3=CC=CC(=O)N3O |
|
| Name: | N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide);
tren mono-2,3-catecholamido bis-N-hydroxypyridin-2-one-6-amide |
| ZINC: | ZINC000058661202 |
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