| Properties | Image |
|---|
| MNX_ID | MNXM160753 |
 |
| reference | keggD:D09956 |
| formula | C29H34Cl2N6O4S |
| global charge | 0 |
| mol weight | 633.602 |
| InChIKey | DHYPGRVMIOATAE-UHFFFAOYSA-N |
| InChI | InChI=1S/C29H32N6O4S.2ClH/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34;;/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36);2*1H |
| SMILES | CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C5=CC=C(OCCN6CCOCC6)C=C5SC4=N3)C=C2)=NO1.Cl.Cl |
MNX internals
| InChI (mnx) | InChI=1/C29H32N6O4S.2ClH/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34;;/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36);2*1H |
 |
| SMILES (mnx) | [CH3:1][C:29]([CH3:2])([CH3:3])[C:25]1=[CH:17][C:26](=[N:32][C:27]([NH:30][C:20]2=[CH:7][CH:5]=[C:19]([C:22]3=[CH:18][N:35]4[C:23]5=[C:24]([CH:16]=[C:21]([O:38][CH2:15][CH2:12][N:34]6[CH2:10][CH2:13][O:37][CH2:14][CH2:11]6)[CH:8]=[CH:9]5)[S:40][C:28]4=[N:31]3)[CH:4]=[CH:6]2)=[O:36])[NH:33][O:39]1.[ClH:41].[ClH:42] |
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