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:755056 - deldeprevir sodium
| Formula | Na.C45H55F2N6O8S2 |
| Net Charge | 0 |
| Average Mass | 933.089 |
| Monoisotopic Mass | 932.33886 |
| SMILES | [H][C@]1(Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)CN2C(=O)[C@@]([H])(CC(=O)N3CCCC(F)(F)C3)CCCCC/C=C\[C@]3([H])C[C@@]3(C(=O)[N-]S(=O)(=O)C3CC3)NC(=O)[C@]2([H])C1.[Na+] |
| InChI | InChI=1S/C45H56F2N6O8S2.Na/c1-26(2)34-24-62-41(49-34)33-21-37(32-15-16-36(60-4)27(3)39(32)48-33)61-30-20-35-40(55)50-45(43(57)51-63(58,59)31-13-14-31)22-29(45)12-9-7-5-6-8-11-28(42(56)53(35)23-30)19-38(54)52-18-10-17-44(46,47)25-52;/h9,12,15-16,21,24,26,28-31,35H,5-8,10-11,13-14,17-20,22-23,25H2,1-4H3,(H2,50,51,55,57);/q;+1/p-1/b12-9-;/t28-,29-,30-,35+,45-;/m1./s1 |
| InChIKey | KLBYIWFUEHNOSA-ACPQSSBHSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| deldeprevir sodium (CHEBI:755056) is a amino acid amide (CHEBI:22475) |
| Synonyms | Source |
|---|---|
| ACH-0142684.Na | ChEMBL |
| ACH-0142684 SODIUM | ChEMBL |
| ACH-2684.Na | ChEMBL |
| ACH-2684 SODIUM | ChEMBL |
| Deldeprevir sodium | ChEMBL |
| Neceprevir sodium | ChEMBL |