| Properties | Image |
|---|
| MNX_ID | MNXM528320 |
 |
| reference | chebi:100204 |
| formula | C32H36FN3O5S |
| global charge | 0 |
| mol weight | 593.721 |
| InChIKey | QBEIQJOXWRLXRW-UETOGOEVSA-N |
| InChI | InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(27-14-7-8-15-28(27)35(31)4)26-13-6-5-10-23(26)20-41-29(21)18-34(3)42(39,40)25-12-9-11-24(33)16-25/h5-16,21-22,29,37H,17-20H2,1-4H3/t21-,22+,29-/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(F)=C1)C1=CC=CC=C1N2C |
MNX internals
| InChI (mnx) | InChI=1/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(27-14-7-8-15-28(27)35(31)4)26-13-6-5-10-23(26)20-41-29(21)18-34(3)42(39,40)25-12-9-11-24(33)16-25/h5-16,21-22,29,37H,17-20H2,1-4H3/t21-,22+,29-/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:26]3=[CH:13][CH:6]=[CH:5][CH:10]=[C:23]3[CH2:20][O:41][C@@H:29]1[CH2:18][N:34]([CH3:3])[S:42]([C:25]1=[CH:12][CH:9]=[CH:11][C:24]([F:33])=[CH:16]1)(=[O:39])=[O:40])[C:27]1=[CH:14][CH:7]=[CH:8][CH:15]=[C:28]1[N:35]2[CH3:4] |
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