| Properties | Image |
|---|
| MNX_ID | MNXM42251 |
 |
| reference | chebi:81282 |
| formula | C20H41N5O9 |
| global charge | 0 |
| mol weight | 495.574 |
| InChIKey | WYJSPPYVEJPMJA-DJWUNRQOSA-N |
| InChI | InChI=1S/C20H41N5O9/c1-6(21)14-11(27)10(26)9(24)18(32-14)33-15-7(22)4-8(23)16(12(15)28)34-19-13(29)17(25-3)20(2,30)5-31-19/h6-19,25-30H,4-5,21-24H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1 |
| SMILES | CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H]([C@@H](C)N)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C20H41N5O9/c1-6(21)14-11(27)10(26)9(24)18(32-14)33-15-7(22)4-8(23)16(12(15)28)34-19-13(29)17(25-3)20(2,30)5-31-19/h6-19,25-30H,4-5,21-24H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:6]([C@@H:14]1[C@@H:11]([OH:27])[C@H:10]([OH:26])[C@@H:9]([NH2:24])[C@@H:18]([O:33][C@@H:15]2[C@@H:7]([NH2:22])[CH2:4][C@@H:8]([NH2:23])[C@H:16]([O:34][C@@H:19]3[C@H:13]([OH:29])[C@@H:17]([NH:25][CH3:3])[C@@:20]([CH3:2])([OH:30])[CH2:5][O:31]3)[C@H:12]2[OH:28])[O:32]1)[NH2:21] |
|