EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C33H39N3O5S |
| Net Charge | 0 |
| Average Mass | 589.758 |
| Monoisotopic Mass | 589.26104 |
| SMILES | Cc1ccccc1S(=O)(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@H]1C |
| InChI | InChI=1S/C33H39N3O5S/c1-22-12-6-11-17-30(22)42(39,40)34(4)19-29-23(2)18-36(24(3)20-37)33(38)32-31(26-14-8-7-13-25(26)21-41-29)27-15-9-10-16-28(27)35(32)5/h6-17,23-24,29,37H,18-21H2,1-5H3/t23-,24-,29-/m1/s1 |
| InChIKey | IXIIOBNDFUZJEW-NDDXJGTKSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-30657 (CHEBI:119208) is a indolyl carboxylic acid (CHEBI:46867) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30657 | LINCS |