| Properties | Image |
|---|
| MNX_ID | MNXM60513 |
 |
| reference | keggD:D04822 |
| formula | C28H32Cl2N4O6 |
| global charge | 0 |
| mol weight | 591.492 |
| InChIKey | ORIWMYRMOGIXGG-ZXVJYWQYSA-N |
| InChI | InChI=1S/C28H30N4O6.2ClH/c1-3-28(35)20-11-22-25-18(14-32(22)26(33)19(20)15-38-27(28)34)17(13-31-6-4-30(2)5-7-31)16-10-23-24(12-21(16)29-25)37-9-8-36-23;;/h10-12,35H,3-9,13-15H2,1-2H3;2*1H/t28-;;/m0../s1 |
| SMILES | CC[C@@]1(O)C(=O)OCC2=C1C=C1C3=NC4=CC5=C(C=C4C(CN4CCN(C)CC4)=C3CN1C2=O)OCCO5.Cl.Cl |
MNX internals
| InChI (mnx) | InChI=1/C28H30N4O6.2ClH/c1-3-28(35)20-11-22-25-18(14-32(22)26(33)19(20)15-38-27(28)34)17(13-31-6-4-30(2)5-7-31)16-10-23-24(12-21(16)29-25)37-9-8-36-23;;/h10-12,35H,3-9,13-15H2,1-2H3;2*1H/t28-;;/m0../s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@:28]1([OH:35])[C:20]2=[C:19]([CH2:15][O:38][C:27]1=[O:34])[C:26](=[O:33])[N:32]1[CH2:14][C:18]3=[C:25]([C:22]1=[CH:11]2)[N:29]=[C:21]1[CH:12]=[C:24]2[C:23](=[CH:10][C:16]1=[C:17]3[CH2:13][N:31]1[CH2:6][CH2:4][N:30]([CH3:2])[CH2:5][CH2:7]1)[O:36][CH2:8][CH2:9][O:37]2.[ClH:39].[ClH:40] |
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