EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C30H35ClN4O6S |
| Net Charge | 0 |
| Average Mass | 615.152 |
| Monoisotopic Mass | 614.19658 |
| SMILES | CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2OC[C@@H](C)N(C(=O)Cc2cccnc2)C[C@H]1C |
| InChI | InChI=1S/C30H35ClN4O6S/c1-20-17-35(29(36)14-22-6-5-13-32-16-22)21(2)19-41-27-15-24(33-42(38,39)25-10-7-23(31)8-11-25)9-12-26(27)30(37)34(3)18-28(20)40-4/h5-13,15-16,20-21,28,33H,14,17-19H2,1-4H3/t20-,21-,28-/m1/s1 |
| InChIKey | IFOGHGBLBLDYKO-UMQWNRPGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-chloro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridin-3-ylacetyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide (CHEBI:98120) is a azamacrocycle (CHEBI:52898) |
| 4-chloro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridin-3-ylacetyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide (CHEBI:98120) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-9499 | LINCS |