EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C26H21N3O5S2 |
| Net Charge | 0 |
| Average Mass | 519.604 |
| Monoisotopic Mass | 519.09226 |
| SMILES | COC(=O)c1ccc(NC(=O)CSc2nc3ccc(N4C(=O)C5C6C=CC(C6)C5C4=O)cc3s2)cc1 |
| InChI | InChI=1S/C26H21N3O5S2/c1-34-25(33)13-4-6-16(7-5-13)27-20(30)12-35-26-28-18-9-8-17(11-19(18)36-26)29-23(31)21-14-2-3-15(10-14)22(21)24(29)32/h2-9,11,14-15,21-22H,10,12H2,1H3,(H,27,30) |
| InChIKey | XLIZSNQPHLLULU-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-33280 (CHEBI:121837) is a amidobenzoic acid (CHEBI:48470) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33280 | LINCS |