EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:751773 - cistinexine
| Formula | C50H60Br4N6O6S2 |
| Net Charge | 0 |
| Average Mass | 1224.816 |
| Monoisotopic Mass | 1220.07492 |
| SMILES | CN(Cc1cc(Br)cc(Br)c1NC(=O)[C@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1c(Br)cc(Br)cc1CN(C)C1CCCCC1)NC(=O)OCc1ccccc1)C1CCCCC1 |
| InChI | InChI=1S/C50H60Br4N6O6S2/c1-59(39-19-11-5-12-20-39)27-35-23-37(51)25-41(53)45(35)57-47(61)43(55-49(63)65-29-33-15-7-3-8-16-33)31-67-68-32-44(56-50(64)66-30-34-17-9-4-10-18-34)48(62)58-46-36(24-38(52)26-42(46)54)28-60(2)40-21-13-6-14-22-40/h3-4,7-10,15-18,23-26,39-40,43-44H,5-6,11-14,19-22,27-32H2,1-2H3,(H,55,63)(H,56,64)(H,57,61)(H,58,62)/t43-,44-/m0/s1 |
| InChIKey | UVOSLKVETODLTR-CXNSMIOJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cistinexine (CHEBI:751773) is a amino acid amide (CHEBI:22475) |
| INNs | Source |
|---|---|
| cistinexina | WHO MedNet |
| cistinexine | WHO MedNet |