| Properties | Image |
|---|
| MNX_ID | MNXM161592 |
 |
| reference | chebi:32218 |
| formula | C24H38N4O8S4 |
| global charge | 0 |
| mol weight | 638.856 |
| InChIKey | QPMDKXBBAVQDCB-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H30N4O2S2.2CH4O3S/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25;2*1-5(2,3)4/h4-5,7-10,17H,6,11-16H2,1-3H3;2*1H3,(H,2,3,4) |
| SMILES | CN1CCN(CCCN2C3=C(C=CC=C3)SC3=C2C=C(S(=O)(=O)N(C)C)C=C3)CC1.CS(=O)(=O)O.CS(=O)(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C22H30N4O2S2.2CH4O3S/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25;2*1-5(2,3)4/h4-5,7-10,17H,6,11-16H2,1-3H3;2*1H3,(H,2,3,4) |
 |
| SMILES (mnx) | [CH3:1][N:23]([CH3:2])[S:30]([C:18]1=[CH:9][CH:10]=[C:22]2[C:20](=[CH:17]1)[N:26]([CH2:12][CH2:6][CH2:11][N:25]1[CH2:15][CH2:13][N:24]([CH3:3])[CH2:14][CH2:16]1)[C:19]1=[CH:7][CH:4]=[CH:5][CH:8]=[C:21]1[S:29]2)(=[O:27])=[O:28].[CH3:31][S:35]([OH:32])(=[O:33])=[O:34].[CH3:36][S:40]([OH:37])(=[O:38])=[O:39] |
|