EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H26N2O4S |
| Net Charge | 0 |
| Average Mass | 354.472 |
| Monoisotopic Mass | 354.16133 |
| SMILES | [H]c1c([H])c(S(=O)(=O)C([H])([H])[C@]2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C(=O)N([H])C([H])([H])C([H])([H])N([H])[H])c([H])c([H])c1OC([H])([H])[H] |
| InChI | InChI=1S/C17H26N2O4S/c1-23-14-6-8-15(9-7-14)24(21,22)12-13-4-2-3-5-16(13)17(20)19-11-10-18/h6-9,13,16H,2-5,10-12,18H2,1H3,(H,19,20)/t13-,16+/m0/s1 |
| InChIKey | QTGNVZPFJQOWFL-XJKSGUPXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1R,2R)-N-(2-AMINOETHYL)-2-{[(4-METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE (CHEBI:44371) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| (1R,2R)-N-(2-aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide | PDBeChem |
| (1R,2R)-N-(2-AMINOETHYL)-2-{[(4-METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| NOQ | PDBeChem |