| Properties | Image |
|---|
| MNX_ID | MNXM528964 |
 |
| reference | chebi:103822 |
| formula | C30H33F2N3O5S |
| global charge | 0 |
| mol weight | 585.673 |
| InChIKey | RSLDQNPUEWIABH-UMQWNRPGSA-N |
| InChI | InChI=1S/C30H33F2N3O5S/c1-20-17-35(21(2)19-36)41(38,39)29-14-11-23(10-9-22-7-5-4-6-8-22)15-27(29)40-28(20)18-34(3)30(37)33-26-16-24(31)12-13-25(26)32/h4-16,20-21,28,36H,17-19H2,1-3H3,(H,33,37)/t20-,21-,28-/m1/s1 |
| SMILES | C[C@@H]1CN([C@H](C)CO)S(=O)(=O)C2=C(C=C(C=CC3=CC=CC=C3)C=C2)O[C@@H]1CN(C)C(=O)NC1=C(F)C=CC(F)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H33F2N3O5S/c1-20-17-35(21(2)19-36)41(38,39)29-14-11-23(10-9-22-7-5-4-6-8-22)15-27(29)40-28(20)18-34(3)30(37)33-26-16-24(31)12-13-25(26)32/h4-16,20-21,28,36H,17-19H2,1-3H3,(H,33,37)/b10-9?/t20-,21-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:20]1[CH2:17][N:35]([C@H:21]([CH3:2])[CH2:19][OH:36])[S:41](=[O:38])(=[O:39])[C:29]2=[C:27]([CH:15]=[C:23]([CH:10]=[CH:9][C:22]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)[CH:11]=[CH:14]2)[O:40][C@@H:28]1[CH2:18][N:34]([CH3:3])[C:30](=[N:33][C:26]1=[C:25]([F:32])[CH:13]=[CH:12][C:24]([F:31])=[CH:16]1)[OH:37] |
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