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CHEBI:759280 - bocodepsin besylate
| Formula | C6H6O3S.C26H39N5O6S2 |
| Net Charge | 0 |
| Average Mass | 739.939 |
| Monoisotopic Mass | 739.23794 |
| SMILES | O=S(=O)(O)c1ccccc1.[H][C@@]1(/C=C/CCSC(=O)[C@@H](N)C(C)C)CC(=O)NCc2nc(cs2)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)O1 |
| InChI | InChI=1S/C26H39N5O6S2.C6H6O3S/c1-14(2)20(27)24(35)38-10-8-7-9-16-11-18(32)28-12-19-29-17(13-39-19)22(33)31-26(5,6)25(36)30-21(15(3)4)23(34)37-16;7-10(8,9)6-4-2-1-3-5-6/h7,9,13-16,20-21H,8,10-12,27H2,1-6H3,(H,28,32)(H,30,36)(H,31,33);1-5H,(H,7,8,9)/b9-7+;/t16-,20+,21+;/m1./s1 |
| InChIKey | NIRZCQHSBOSBOH-CVYLVPDPSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bocodepsin besylate (CHEBI:759280) has role antineoplastic agent (CHEBI:35610) |
| bocodepsin besylate (CHEBI:759280) is a cyclodepsipeptide (CHEBI:35213) |
| Synonyms | Source |
|---|---|
| Bocodepsin besylate | ChEMBL |
| Oki 179 | ChEMBL |
| OKI-179 | ChEMBL |
| OKI179 | ChEMBL |
| Citations |
|---|