EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C23H28N2O7S |
| Net Charge | 0 |
| Average Mass | 476.551 |
| Monoisotopic Mass | 476.16172 |
| SMILES | O=C(N[C@H]1CC[C@H](CCNS(=O)(=O)Cc2ccccc2)O[C@@H]1CO)c1ccc2c(c1)OCO2 |
| InChI | InChI=1S/C23H28N2O7S/c26-13-22-19(25-23(27)17-6-9-20-21(12-17)31-15-30-20)8-7-18(32-22)10-11-24-33(28,29)14-16-4-2-1-3-5-16/h1-6,9,12,18-19,22,24,26H,7-8,10-11,13-15H2,(H,25,27)/t18-,19+,22-/m1/s1 |
| InChIKey | PWRMKQUARCEQEU-XQBPLPMBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide (CHEBI:122385) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33828 | LINCS |