| Properties | Image |
|---|
| MNX_ID | MNXM530076 |
 |
| reference | chebi:127588 |
| formula | C31H33F3N4O4 |
| global charge | 0 |
| mol weight | 582.623 |
| InChIKey | LBJGAAXAEUJMCP-IZVMNLJQSA-N |
| InChI | InChI=1S/C31H33F3N4O4/c1-20-17-38(21(2)19-39)29(40)26-15-23(10-9-22-7-5-4-6-8-22)16-35-28(26)42-27(20)18-37(3)30(41)36-25-13-11-24(12-14-25)31(32,33)34/h4-16,20-21,27,39H,17-19H2,1-3H3,(H,36,41)/t20-,21-,27-/m0/s1 |
| SMILES | C[C@H]1CN([C@@H](C)CO)C(=O)C2=CC(C=CC3=CC=CC=C3)=CN=C2O[C@H]1CN(C)C(=O)NC1=CC=C(C(F)(F)F)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C31H33F3N4O4/c1-20-17-38(21(2)19-39)29(40)26-15-23(10-9-22-7-5-4-6-8-22)16-35-28(26)42-27(20)18-37(3)30(41)36-25-13-11-24(12-14-25)31(32,33)34/h4-16,20-21,27,39H,17-19H2,1-3H3,(H,36,41)/b10-9?/t20-,21-,27-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:20]1[CH2:17][N:38]([C@@H:21]([CH3:2])[CH2:19][OH:39])[C:29](=[O:40])[C:26]2=[C:28]([N:35]=[CH:16][C:23]([CH:10]=[CH:9][C:22]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)=[CH:15]2)[O:42][C@H:27]1[CH2:18][N:37]([CH3:3])[C:30]([NH:36][C:25]1=[CH:14][CH:12]=[C:24]([C:31]([F:32])([F:33])[F:34])[CH:11]=[CH:13]1)=[O:41] |
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