EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H40N6O4 |
| Net Charge | 0 |
| Average Mass | 452.600 |
| Monoisotopic Mass | 452.31110 |
| SMILES | C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)CCCN(C)C |
| InChI | InChI=1S/C22H40N6O4/c1-17-13-27(18(2)15-29)22(31)9-7-11-28-19(12-23-24-28)16-32-20(17)14-26(5)21(30)8-6-10-25(3)4/h12,17-18,20,29H,6-11,13-16H2,1-5H3/t17-,18+,20-/m1/s1 |
| InChIKey | HUEUWTADLJASSZ-WSTZPKSXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(dimethylamino)-N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylbutanamide (CHEBI:113283) is a azamacrocycle (CHEBI:52898) |
| 4-(dimethylamino)-N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylbutanamide (CHEBI:113283) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24694 | LINCS |