EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H22N2O3S |
| Net Charge | 0 |
| Average Mass | 370.474 |
| Monoisotopic Mass | 370.13511 |
| SMILES | [H]O[C@]([H])(C([H])([H])N([H])S(=O)(=O)c1c([H])c([H])c2c([H])c([H])c([H])c([H])c2c1[H])[C@@]([H])(N([H])[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H] |
| InChI | InChI=1S/C20H22N2O3S/c21-19(12-15-6-2-1-3-7-15)20(23)14-22-26(24,25)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19-20,22-23H,12,14,21H2/t19-,20+/m0/s1 |
| InChIKey | QSSWSEQPKCCATQ-VQTJNVASSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]naphthalene-2-sulfonamide (CHEBI:41391) is a unclassifieds (CHEBI:27189) |
| Synonym | Source |
|---|---|
| N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]naphthalene-2-sulfonamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| C3M | PDBeChem |