EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C24H31N3O4 |
| Net Charge | 0 |
| Average Mass | 425.529 |
| Monoisotopic Mass | 425.23146 |
| SMILES | CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)CN4CCOCC4)C[C@H]23)cc1 |
| InChI | InChI=1S/C24H31N3O4/c1-2-3-4-5-18-6-8-19(9-7-18)24-20-14-26(16-23(30)27(20)21(24)17-28)22(29)15-25-10-12-31-13-11-25/h6-9,20-21,24,28H,2-3,10-17H2,1H3/t20-,21-,24-/m1/s1 |
| InChIKey | MEZRSQVRRGLIAD-PQNGQFLHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (6S,7R,8S)-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128760) is a azetidines (CHEBI:38777) |
| (6S,7R,8S)-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128760) is a benzenes (CHEBI:22712) |
| (6S,7R,8S)-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128760) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40313 | LINCS |