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| Formula | C32H49N5O8 |
| Net Charge | 0 |
| Average Mass | 631.771 |
| Monoisotopic Mass | 631.35811 |
| SMILES | [H]/C(C(=O)OC([H])([H])C([H])([H])[H])=C(/[H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)c1c([H])oc([H])c1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]1([H])C(=O)N([H])C([H])([H])C1([H])[H] |
| InChI | InChI=1S/C32H49N5O8/c1-8-45-25(38)10-9-23(16-21-11-13-33-28(21)39)34-30(41)24(15-18(2)3)35-31(42)26(19(4)5)37-32(43)27(20(6)7)36-29(40)22-12-14-44-17-22/h9-10,12,14,17-21,23-24,26-27H,8,11,13,15-16H2,1-7H3,(H,33,39)(H,34,41)(H,35,42)(H,36,40)(H,37,43)/b10-9+/t21-,23+,24-,26-,27-/m0/s1 |
| InChIKey | JQGYBVLTABWBOF-VTQXMFKGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3-furoyl)-D-valyl-L-valyl-N-((1R,2Z)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-D-leucinamide (CHEBI:40384) is a furans (CHEBI:24129) |
| N-(3-furoyl)-D-valyl-L-valyl-N-((1R,2Z)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-D-leucinamide (CHEBI:40384) is a pyrrolidin-2-ones (CHEBI:74223) |
| N-(3-furoyl)-D-valyl-L-valyl-N-((1R,2Z)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-D-leucinamide (CHEBI:40384) is a tripeptide (CHEBI:47923) |
| Synonyms | Source |
|---|---|
| N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE | PDBeChem |
| N-(furan-3-ylcarbonyl)-L-valyl-L-valyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-en-1-yl]-L-leucinamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 9IN | PDBeChem |