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CHEBI:39709 - N-[(1S)-3-methyl-1-{[(4S)-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-yl]carbamoyl}butyl]-1-benzofuran-2-carboxamide
| Formula | C26H30N4O6S |
| Net Charge | 0 |
| Average Mass | 526.615 |
| Monoisotopic Mass | 526.18861 |
| SMILES | [H]c1nc(S(=O)(=O)N2C([H])([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)c3oc4c([H])c([H])c([H])c([H])c4c3[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])c([H])c([H])c1[H] |
| InChI | InChI=1S/C26H30N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-20H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19-,20-/m0/s1 |
| InChIKey | VBPPNJCVXGAZDD-PMACEKPBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(1S)-3-methyl-1-{[(4S)-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-yl]carbamoyl}butyl]-1-benzofuran-2-carboxamide (CHEBI:39709) is a 1-benzofurans (CHEBI:38830) |
| N-[(1S)-3-methyl-1-{[(4S)-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-yl]carbamoyl}butyl]-1-benzofuran-2-carboxamide (CHEBI:39709) is a azepanes (CHEBI:46986) |
| N-[(1S)-3-methyl-1-{[(4S)-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-yl]carbamoyl}butyl]-1-benzofuran-2-carboxamide (CHEBI:39709) is a monocarboxylic acid amide (CHEBI:29347) |
| N-[(1S)-3-methyl-1-{[(4S)-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-yl]carbamoyl}butyl]-1-benzofuran-2-carboxamide (CHEBI:39709) is a pyridinesulfonamide (CHEBI:48100) |
| Synonyms | Source |
|---|---|
| BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE | PDBeChem |
| N-[(1S)-3-methyl-1-{[(4S)-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-yl]carbamoyl}butyl]-1-benzofuran-2-carboxamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 2CA | PDBeChem |