| Properties | Image |
|---|
| MNX_ID | MNXM528807 |
 |
| reference | chebi:102999 |
| formula | C32H36FN3O5S |
| global charge | 0 |
| mol weight | 593.721 |
| InChIKey | PCQGWFREXHAZIT-WENCSYSZSA-N |
| InChI | InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(25-13-7-9-15-27(25)35(31)4)24-12-6-5-11-23(24)20-41-28(21)18-34(3)42(39,40)29-16-10-8-14-26(29)33/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28+/m1/s1 |
| SMILES | C[C@@H]1CN([C@@H](C)CO)C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C1=CC=CC=C1F)C1=CC=CC=C1N2C |
MNX internals
| InChI (mnx) | InChI=1/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(25-13-7-9-15-27(25)35(31)4)24-12-6-5-11-23(24)20-41-28(21)18-34(3)42(39,40)29-16-10-8-14-26(29)33/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:21]1[CH2:17][N:36]([C@@H:22]([CH3:2])[CH2:19][OH:37])[C:32](=[O:38])[C:31]2=[C:30]([C:24]3=[CH:12][CH:6]=[CH:5][CH:11]=[C:23]3[CH2:20][O:41][C@H:28]1[CH2:18][N:34]([CH3:3])[S:42]([C:29]1=[CH:16][CH:10]=[CH:8][CH:14]=[C:26]1[F:33])(=[O:39])=[O:40])[C:25]1=[CH:13][CH:7]=[CH:9][CH:15]=[C:27]1[N:35]2[CH3:4] |
|