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CHEBI:754788 - nemifitide ditriflutate
| Formula | C33H43FN10O6.C2HF3O2.C2HF3O2 |
| Net Charge | 0 |
| Average Mass | 922.813 |
| Monoisotopic Mass | 922.32084 |
| SMILES | N=C(N)NCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)Cc1ccc(F)cc1)C(=O)NCC(=O)N[C@@H](Cc1cnc2ccccc12)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F |
| InChI | InChI=1S/C33H43FN10O6.2C2HF3O2/c34-20-9-7-18(8-10-20)12-23(35)32(50)44-17-21(45)14-27(44)31(49)43-25(6-3-11-39-33(37)38)30(48)41-16-28(46)42-26(29(36)47)13-19-15-40-24-5-2-1-4-22(19)24;2*3-2(4,5)1(6)7/h1-2,4-5,7-10,15,21,23,25-27,40,45H,3,6,11-14,16-17,35H2,(H2,36,47)(H,41,48)(H,42,46)(H,43,49)(H4,37,38,39);2*(H,6,7)/t21-,23+,25+,26+,27+;;/m1../s1 |
| InChIKey | QXCFOJXOLMOPRK-QOXNQHIRSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| nemifitide ditriflutate (CHEBI:754788) is a polypeptide (CHEBI:15841) |
| Synonyms | Source |
|---|---|
| INN 00835 | ChEMBL |
| INN-00835 | ChEMBL |
| Nemifitide bis(trifluoroacetate) | ChEMBL |
| Nemifitide ditriflutate | ChEMBL |