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CHEBI:41679 - N-[(3S,6R)-6-{(S,E)-4-ethoxycarbonyl-1-[(S)-2-oxopyrrolidin-3-yl]but-3-en-2-ylcarbamoyl}-2,9-dimethyl-4-oxodec-8-en-3-yl]-5-methylisoxazole-3-carboxamide
| Formula | C29H42N4O7 |
| Net Charge | 0 |
| Average Mass | 558.676 |
| Monoisotopic Mass | 558.30535 |
| SMILES | [H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]([H])(C(=O)N([H])[C@]([H])(/C([H])=C(\[H])C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])[C@@]1([H])C(=O)N([H])C([H])([H])C1([H])[H])C([H])([H])C(=O)[C@@]([H])(N([H])C(=O)c1noc(C([H])([H])[H])c1[H])C([H])(C([H])([H])[H])C([H])([H])[H] |
| InChI | InChI=1S/C29H42N4O7/c1-7-39-25(35)11-10-22(15-21-12-13-30-27(21)36)31-28(37)20(9-8-17(2)3)16-24(34)26(18(4)5)32-29(38)23-14-19(6)40-33-23/h8,10-11,14,18,20-22,26H,7,9,12-13,15-16H2,1-6H3,(H,30,36)(H,31,37)(H,32,38)/b11-10+/t20-,21+,22-,26+/m1/s1 |
| InChIKey | CSNQHKJCKPMZCY-YFUAOJPXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(3S,6R)-6-{(S,E)-4-ethoxycarbonyl-1-[(S)-2-oxopyrrolidin-3-yl]but-3-en-2-ylcarbamoyl}-2,9-dimethyl-4-oxodec-8-en-3-yl]-5-methylisoxazole-3-carboxamide (CHEBI:41679) is a isoxazoles (CHEBI:55373) |
| N-[(3S,6R)-6-{(S,E)-4-ethoxycarbonyl-1-[(S)-2-oxopyrrolidin-3-yl]but-3-en-2-ylcarbamoyl}-2,9-dimethyl-4-oxodec-8-en-3-yl]-5-methylisoxazole-3-carboxamide (CHEBI:41679) is a pyrrolidin-2-ones (CHEBI:74223) |
| Synonyms | Source |
|---|---|
| N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE | PDBeChem |
| ethyl (2E,4S)-4-{[(2R,5S)-6-methyl-2-(3-methylbut-2-en-1-yl)-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| CY6 | PDBeChem |