EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C34H38N4O6 |
| Net Charge | 0 |
| Average Mass | 598.700 |
| Monoisotopic Mass | 598.27913 |
| SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2 |
| InChI | InChI=1S/C34H38N4O6/c1-21-16-38(22(2)18-39)33(40)32-31(26-11-7-8-12-27(26)37(32)4)25-10-6-5-9-23(25)19-42-30(21)17-36(3)34(41)35-24-13-14-28-29(15-24)44-20-43-28/h5-15,21-22,30,39H,16-20H2,1-4H3,(H,35,41)/t21-,22-,30+/m1/s1 |
| InChIKey | KFLLAZWDLYDTFJ-WOGZVKCMSA-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-14453 (CHEBI:103108) is a indolyl carboxylic acid (CHEBI:46867) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14453 | LINCS |