EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C26H32N2O4S |
| Net Charge | 0 |
| Average Mass | 468.619 |
| Monoisotopic Mass | 468.20828 |
| SMILES | COCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4C)C[C@@H]23)cc1 |
| InChI | InChI=1S/C26H32N2O4S/c1-20-8-3-4-10-25(20)33(30,31)27-15-5-6-16-28-23(18-27)26(24(28)19-29)22-13-11-21(12-14-22)9-7-17-32-2/h3-4,8,10-14,23-24,26,29H,5-6,15-19H2,1-2H3/t23-,24-,26-/m0/s1 |
| InChIKey | MQIXLZJMWPJVMP-GNKBHMEESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(8R,9S,10R)-9-[4-(3-methoxyprop-1-ynyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:130748) is a azetidines (CHEBI:38777) |
| [(8R,9S,10R)-9-[4-(3-methoxyprop-1-ynyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:130748) is a benzenes (CHEBI:22712) |
| [(8R,9S,10R)-9-[4-(3-methoxyprop-1-ynyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:130748) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-42297 | LINCS |