| Properties | Image |
|---|
| MNX_ID | MNXM107416 |
 |
| reference | chebi:69417 |
| formula | C20H20BrF6N5O4 |
| global charge | 0 |
| mol weight | 588.303 |
| InChIKey | DODWCDBOSMVLLQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H18BrN5.2C2HF3O2/c17-10-4-5-11-12-6-8-20-13(15(12)22-14(11)9-10)3-1-2-7-21-16(18)19;2*3-2(4,5)1(6)7/h4-6,8-9,22H,1-3,7H2,(H4,18,19,21);2*(H,6,7) |
| SMILES | NC(=[NH2+])NCCCCC1=[NH+]C=CC2=C1NC1=C2C=CC(Br)=C1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F |
MNX internals
| InChI (mnx) | InChI=1/C16H18BrN5.2C2HF3O2/c17-10-4-5-11-12-6-8-20-13(15(12)22-14(11)9-10)3-1-2-7-21-16(18)19;2*3-2(4,5)1(6)7/h4-6,8-9,22H,1-3,7H2,(H4,18,19,21);2*(H,6,7) |
 |
| SMILES (mnx) | [C:23]([C:24]([F:25])([F:26])[F:27])(=[O:28])[OH:29].[C:30]([C:31]([F:32])([F:33])[F:34])(=[O:35])[OH:36].[CH2:1]([CH2:2][CH2:7][NH:21][C:16](=[NH:18])[NH2:19])[CH2:3][C:13]1=[C:15]2[C:12](=[CH:6][CH:8]=[N:20]1)[C:11]1=[C:14]([CH:9]=[C:10]([Br:17])[CH:4]=[CH:5]1)[NH:22]2 |
|