| Properties | Image |
| MNX_ID | MNXM173009 |
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| reference | chebi:130048 |
| formula | C27H26FN3O3 |
| global charge | 0 |
| mol weight | 459.521 |
| InChIKey | MFEFQCSBYWGWRQ-BFLUCZKCSA-N |
| InChI | InChI=1S/C27H26FN3O3/c1-17-5-2-3-8-22(17)18-9-11-19(12-10-18)26-23-14-30(15-25(33)31(23)24(26)16-32)27(34)29-21-7-4-6-20(28)13-21/h2-13,23-24,26,32H,14-16H2,1H3,(H,29,34)/t23-,24+,26+/m0/s1 |
| SMILES | CC1=CC=CC=C1C1=CC=C([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4=CC(F)=CC=C4)C[C@@H]23)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H26FN3O3/c1-17-5-2-3-8-22(17)18-9-11-19(12-10-18)26-23-14-30(15-25(33)31(23)24(26)16-32)27(34)29-21-7-4-6-20(28)13-21/h2-13,23-24,26,32H,14-16H2,1H3,(H,29,34)/t23-,24+,26+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:17]1=[CH:5][CH:2]=[CH:3][CH:8]=[C:22]1[C:18]1=[CH:10][CH:12]=[C:19]([C@@H:26]2[C@@H:23]3[CH2:14][N:30]([C:27](=[N:29][C:21]4=[CH:7][CH:4]=[CH:6][C:20]([F:28])=[CH:13]4)[OH:34])[CH2:15][C:25](=[O:33])[N:31]3[C@@H:24]2[CH2:16][OH:32])[CH:11]=[CH:9]1 |
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