EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C27H35N3O6S |
| Net Charge | 0 |
| Average Mass | 529.659 |
| Monoisotopic Mass | 529.22466 |
| SMILES | C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)C3CC3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccccc1 |
| InChI | InChI=1S/C27H35N3O6S/c1-18-15-30(19(2)17-31)26(32)14-21-13-22(28-27(33)20-9-10-20)11-12-24(21)36-25(18)16-29(3)37(34,35)23-7-5-4-6-8-23/h4-8,11-13,18-20,25,31H,9-10,14-17H2,1-3H3,(H,28,33)/t18-,19-,25+/m0/s1 |
| InChIKey | MWSPHKIBVREWDU-XHNVNVPESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide (CHEBI:124624) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36066 | LINCS |