| Properties | Image |
|---|
| MNX_ID | MNXM1185481 |
 |
| reference | envipathM:...735737f351d4 |
| formula | C26H28Cl2N4O6 |
| global charge | 0 |
| mol weight | 563.438 |
| InChIKey | QNSPTQJNGSDVNH-KCIKGWAESA-N |
| InChI | InChI=1S/C26H28Cl2N4O6/c1-18(34)32(12-13-33)11-9-30-20-3-5-21(6-4-20)36-15-24-25(35)38-26(37-24,16-31-10-8-29-17-31)22-7-2-19(27)14-23(22)28/h2-8,10,13-14,17,24-25,30,35H,9,11-12,15-16H2,1H3/t24-,25?,26+/m0/s1 |
| SMILES | CC(=O)N(CC=O)CCNC1=CC=C(OC[C@@H]2O[C@@](CN3C=CN=C3)(C3=CC=C(Cl)C=C3Cl)OC2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C26H28Cl2N4O6/c1-18(34)32(12-13-33)11-9-30-20-3-5-21(6-4-20)36-15-24-25(35)38-26(37-24,16-31-10-8-29-17-31)22-7-2-19(27)14-23(22)28/h2-8,10,13-14,17,24-25,30,35H,9,11-12,15-16H2,1H3/t24-,25?,26+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18]([N:32]([CH2:11][CH2:9][NH:30][C:20]1=[CH:4][CH:6]=[C:21]([O:36][CH2:15][C@H:24]2[CH:25]([OH:35])[O:38][C@:26]([CH2:16][N:31]3[CH:10]=[CH:8][N:29]=[CH:17]3)([C:22]3=[C:23]([Cl:28])[CH:14]=[C:19]([Cl:27])[CH:2]=[CH:7]3)[O:37]2)[CH:5]=[CH:3]1)[CH2:12][CH:13]=[O:33])=[O:34] |
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