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CHEBI:44351 - N-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]-L-phenylalanin-N-{(1S)-1-[(E)-2-(phenylsulfonyl)ethenyl]butyl}amide
| Formula | C31H42N4O5S |
| Net Charge | 0 |
| Average Mass | 582.767 |
| Monoisotopic Mass | 582.28759 |
| SMILES | [H]/C(=C(/[H])S(=O)(=O)c1c([H])c([H])c([H])c([H])c1[H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)N1C([H])([H])C([H])([H])C([H])(N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C([H])([H])C1([H])[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])C([H])([H])C([H])([H])[H] |
| InChI | InChI=1S/C31H42N4O5S/c1-2-9-26(16-23-41(38,39)28-12-7-4-8-13-28)32-30(36)29(24-25-10-5-3-6-11-25)33-31(37)35-17-14-27(15-18-35)34-19-21-40-22-20-34/h3-8,10-13,16,23,26-27,29H,2,9,14-15,17-22,24H2,1H3,(H,32,36)(H,33,37)/b23-16+/t26-,29-/m0/s1 |
| InChIKey | OFBHNKJTHNHXQT-NDBKYUKGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]-L-phenylalanin-N-{(1S)-1-[(E)-2-(phenylsulfonyl)ethenyl]butyl}amide (CHEBI:44351) is a N-acylpiperidine (CHEBI:48591) |
| N-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]-L-phenylalanin-N-{(1S)-1-[(E)-2-(phenylsulfonyl)ethenyl]butyl}amide (CHEBI:44351) is a L-phenylalanine derivative (CHEBI:84144) |
| N-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]-L-phenylalanin-N-{(1S)-1-[(E)-2-(phenylsulfonyl)ethenyl]butyl}amide (CHEBI:44351) is a morpholines (CHEBI:38785) |
| N-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]-L-phenylalanin-N-{(1S)-1-[(E)-2-(phenylsulfonyl)ethenyl]butyl}amide (CHEBI:44351) is a ureas (CHEBI:47857) |
| Synonyms | Source |
|---|---|
| 4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE | PDBeChem |
| Nalpha-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]-N-{(1S)-1-[(E)-2-(phenylsulfonyl)ethenyl]butyl}-L-phenylalaninamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| MYP | PDBeChem |