EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C35H47N5O6 |
| Net Charge | 0 |
| Average Mass | 633.790 |
| Monoisotopic Mass | 633.35263 |
| SMILES | Cc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCOCC3)CC2)cc(C)c1O |
| InChI | InChI=1S/C35H47N5O6/c1-24-21-26(22-25(2)32(24)41)23-31(33(42)38-12-8-28(9-13-38)37-17-19-45-20-18-37)46-35(44)39-14-10-29(11-15-39)40-16-7-27-5-3-4-6-30(27)36-34(40)43/h3-6,21-22,28-29,31,41H,7-20,23H2,1-2H3,(H,36,43)/t31-/m1/s1 |
| InChIKey | HTLWMOKBJQKDIJ-WJOKGBTCSA-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) |
| bi-44370 (CHEBI:755323) is a carboxylic acid (CHEBI:33575) |
| bi-44370 (CHEBI:755323) is a piperidines (CHEBI:26151) |
| Synonyms | Source |
|---|---|
| Bi-44370 | ChEMBL |
| BI44370 | ChEMBL |
| BI-44370-BS | ChEMBL |
| BI 44370 TA | ChEMBL |
| J3.353.239C | ChEMBL |
| Citations |
|---|