EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H35N3O6S |
| Net Charge | 0 |
| Average Mass | 433.571 |
| Monoisotopic Mass | 433.22466 |
| SMILES | [H]C(=O)[C@@]([H])(C([H])([H])C([H])([H])[H])[C@@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])N([H])S(=O)(=O)C([H])([H])[H] |
| InChI | InChI=1S/C19H35N3O6S/c1-8-13(11-23)16-14(21-29(7,26)27)9-10-22(16)17(24)15(12(2)3)20-18(25)28-19(4,5)6/h11-16,21H,8-10H2,1-7H3,(H,20,25)/t13-,14+,15+,16-/m1/s1 |
| InChIKey | NOWIRVOXJOWTSQ-FXUDXRNXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tert-butyl {1-[2-(1-formylpropyl)-3-methanesulfonylaminopyrrolidine-1-carbonyl]-2-methylpropyl}carbamate (CHEBI:45985) is a N-acylpyrrolidine (CHEBI:46766) |
| tert-butyl {1-[2-(1-formylpropyl)-3-methanesulfonylaminopyrrolidine-1-carbonyl]-2-methylpropyl}carbamate (CHEBI:45985) is a butanals (CHEBI:22939) |
| tert-butyl {1-[2-(1-formylpropyl)-3-methanesulfonylaminopyrrolidine-1-carbonyl]-2-methylpropyl}carbamate (CHEBI:45985) is a carbamate ester (CHEBI:23003) |
| tert-butyl {1-[2-(1-formylpropyl)-3-methanesulfonylaminopyrrolidine-1-carbonyl]-2-methylpropyl}carbamate (CHEBI:45985) is a sulfonamide (CHEBI:35358) |
| Synonyms | Source |
|---|---|
| {1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER | PDBeChem |
| tert-butyl [(1S)-1-({(2R,3S)-2-[(1S)-1-formylpropyl]-3-[(methylsulfonyl)amino]pyrrolidin-1-yl}carbonyl)-2-methylpropyl]carbamate | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| TRL | PDBeChem |