EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H26N2O2S |
| Net Charge | 0 |
| Average Mass | 346.496 |
| Monoisotopic Mass | 346.17150 |
| SMILES | [H]O[C@]([H])(C(=O)N([H])[C@]([H])(c1c([H])c([H])c([H])c2c([H])c([H])c([H])c([H])c12)C([H])([H])[H])[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])SC([H])([H])C([H])([H])[H] |
| InChI | InChI=1S/C19H26N2O2S/c1-3-24-12-11-17(20)18(22)19(23)21-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13,17-18,22H,3,11-12,20H2,1-2H3,(H,21,23)/t13-,17-,18-/m0/s1 |
| InChIKey | AIIOXZPEXXZCML-KKXDTOCCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL-((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE (CHEBI:40700) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| (2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL-((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE | PDBeChem |
| (2S,3S)-3-amino-5-(ethylsulfanyl)-2-hydroxy-N-[(1S)-1-naphthalen-1-ylethyl]pentanamide (non-preferred name) | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| AO1 | PDBeChem |