EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H37N3O7S2 |
| Net Charge | 0 |
| Average Mass | 615.774 |
| Monoisotopic Mass | 615.20729 |
| SMILES | CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@@H](C)N(S(=O)(=O)c2ccccc2)C[C@H]1C |
| InChI | InChI=1S/C30H37N3O7S2/c1-21-11-9-10-14-29(21)41(35,36)31-24-15-16-27-26(17-24)30(34)32(4)19-28(39-5)22(2)18-33(23(3)20-40-27)42(37,38)25-12-7-6-8-13-25/h6-17,22-23,28,31H,18-20H2,1-5H3/t22-,23-,28-/m1/s1 |
| InChIKey | CUDOUIJJWFXDCR-MVOZIGHISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(4R,7R,8S)-5-(benzenesulfonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methylbenzenesulfonamide (CHEBI:100605) is a azamacrocycle (CHEBI:52898) |
| N-[(4R,7R,8S)-5-(benzenesulfonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methylbenzenesulfonamide (CHEBI:100605) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11979 | LINCS |