EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C32H38N4O3 |
| Net Charge | 0 |
| Average Mass | 526.681 |
| Monoisotopic Mass | 526.29439 |
| SMILES | C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)Cc1ccncc1 |
| InChI | InChI=1S/C32H38N4O3/c1-22-17-36(23(2)20-37)32(38)31-30(27-11-7-8-12-28(27)35(31)4)26-10-6-5-9-25(26)21-39-29(22)19-34(3)18-24-13-15-33-16-14-24/h5-16,22-23,29,37H,17-21H2,1-4H3/t22-,23-,29+/m0/s1 |
| InChIKey | VVAFPBTXPBKEIX-SBZVUBOMSA-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-30872 (CHEBI:119423) is a indolyl carboxylic acid (CHEBI:46867) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30872 | LINCS |