| Properties | Image |
|---|
| MNX_ID | MNXM1595055 |
 |
| reference | vmhM:ketoazg
vmhM:ketoazg |
| formula | C32H36Cl2N4O10 |
| global charge | 0 |
| mol weight | 707.564 |
| InChIKey | ZZNGUJXXZIYXFR-GYJLLCNNSA-N |
| InChI | InChI=1S/C32H36Cl2N4O10/c1-19(39)36-10-12-37(13-11-36)21-3-5-22(6-4-21)45-15-23-16-46-32(48-23,24-7-2-20(33)14-25(24)34)17-35-8-9-38(18-35)30-28(42)26(40)27(41)29(47-30)31(43)44/h2-9,14,18,23,26-30,40-42H,10-13,15-17H2,1H3/t23?,26-,27-,28+,29+,30+,32?/m0/s1 |
| SMILES | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4cc[n+]([C@@H]5O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)c4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C32H36Cl2N4O10/c1-19(39)36-10-12-37(13-11-36)21-3-5-22(6-4-21)45-15-23-16-46-32(48-23,24-7-2-20(33)14-25(24)34)17-35-8-9-38(18-35)30-28(42)26(40)27(41)29(47-30)31(43)44/h2-9,14,18,23,26-30,40-42H,10-13,15-17H2,1H3/t23?,26-,27-,28+,29+,30+,32?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:19]([N:36]1[CH2:10][CH2:12][N:37]([c:21]2[cH:3][cH:5][c:22]([O:45][CH2:15][CH:23]3[CH2:16][O:46][C:32]([CH2:17][n:35]4[cH:8][cH:9][n+:38]([C@H:30]5[C@H:28]([OH:42])[C@@H:26]([OH:40])[C@H:27]([OH:41])[C@H:29]([C:31]([O-:43])=[O:44])[O:47]5)[cH:18]4)([c:24]4[cH:7][cH:2][c:20]([Cl:33])[cH:14][c:25]4[Cl:34])[O:48]3)[cH:6][cH:4]2)[CH2:13][CH2:11]1)=[O:39] |
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