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CHEBI:201493 - Brilacidin
| Formula | C40H50F6N14O6 |
| Net Charge | 0 |
| Average Mass | 936.920 |
| Monoisotopic Mass | 936.39419 |
| SMILES | NC(N)=NCCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCN=C(N)N)c3OC3CCNC3)ncn2)c1OC1CCNC1 |
| InChI | InChI=1S/C40H50F6N14O6/c41-39(42,43)21-13-25(57-31(61)5-1-3-9-53-37(47)48)33(65-23-7-11-51-18-23)27(15-21)59-35(63)29-17-30(56-20-55-29)36(64)60-28-16-22(40(44,45)46)14-26(34(28)66-24-8-12-52-19-24)58-32(62)6-2-4-10-54-38(49)50/h13-17,20,23-24,51-52H,1-12,18-19H2,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H4,47,48,53)(H4,49,50,54) |
| InChIKey | QPDYBCZNGUJZDK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Brilacidin (CHEBI:201493) is a aromatic amide (CHEBI:62733) |
| IUPAC Name |
|---|
| 4-N,6-N-bis[3-[5-(diaminomethylideneamino)pentanoylamino]-2-[(3R)-pyrrolidin-3-yl]oxy-5-(triluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide |