| Properties | Image |
|---|
| MNX_ID | MNXM44999 |
 |
| reference | keggD:D03190 |
| formula | C22H45N5O12 |
| global charge | 0 |
| mol weight | 571.625 |
| InChIKey | OCFOTEIMZBKQFS-DGMGPCKZSA-N |
| InChI | InChI=1S/C22H45N5O12/c23-2-1-7(29)5-27-9-3-8(25)19(38-22-17(34)16(33)14(31)10(4-24)36-22)18(35)20(9)39-21-15(32)12(26)13(30)11(6-28)37-21/h7-22,27-35H,1-6,23-26H2/t7-,8-,9+,10+,11+,12-,13+,14+,15+,16-,17+,18-,19+,20-,21+,22+/m0/s1 |
| SMILES | NCC[C@H](O)CN[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C22H45N5O12/c23-2-1-7(29)5-27-9-3-8(25)19(38-22-17(34)16(33)14(31)10(4-24)36-22)18(35)20(9)39-21-15(32)12(26)13(30)11(6-28)37-21/h7-22,27-35H,1-6,23-26H2/t7-,8-,9+,10+,11+,12-,13+,14+,15+,16-,17+,18-,19+,20-,21+,22+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][NH2:23])[C@@H:7]([CH2:5][NH:27][C@@H:9]1[CH2:3][C@H:8]([NH2:25])[C@@H:19]([O:38][C@@H:22]2[C@H:17]([OH:34])[C@@H:16]([OH:33])[C@H:14]([OH:31])[C@@H:10]([CH2:4][NH2:24])[O:36]2)[C@H:18]([OH:35])[C@H:20]1[O:39][C@@H:21]1[C@H:15]([OH:32])[C@@H:12]([NH2:26])[C@H:13]([OH:30])[C@@H:11]([CH2:6][OH:28])[O:37]1)[OH:29] |
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