EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H20N2O7S |
| Net Charge | 0 |
| Average Mass | 408.432 |
| Monoisotopic Mass | 408.09912 |
| SMILES | [H]Oc1c([H])c2c(c([H])c1OC([H])([H])[H])[C@]([H])(C(=O)N([H])O[H])N(S(=O)(=O)c1c([H])c([H])c(OC([H])([H])[H])c([H])c1[H])C([H])([H])C2([H])[H] |
| InChI | InChI=1S/C18H20N2O7S/c1-26-12-3-5-13(6-4-12)28(24,25)20-8-7-11-9-15(21)16(27-2)10-14(11)17(20)18(22)19-23/h3-6,9-10,17,21,23H,7-8H2,1-2H3,(H,19,22)/t17-/m1/s1 |
| InChIKey | AYFCYVLVRYQGME-QGZVFWFLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE (CHEBI:43905) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| (1R)-N,6-dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide | PDBeChem |
| (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| MDW | PDBeChem |