| Properties | Image |
|---|
| MNX_ID | MNXM98396 |
 |
| reference | chebi:231950 |
| formula | C20H46N5O7 |
| global charge | 5 |
| mol weight | 468.616 |
| InChIKey | XUFIWSHGXVLULG-BSBKYKEKSA-S |
| InChI | InChI=1S/C20H41N5O7/c1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19/h8-19,25-28H,4-7,21-24H2,1-3H3/p+5/t8-,9+,10-,11+,12-,13-,14+,15+,16-,17+,18+,19+,20-/m0/s1 |
| SMILES | C[NH2+][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)[NH3+])CC[C@H]3[NH3+])[C@@H]([NH3+])C[C@H]2[NH3+])OC[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C20H41N5O7/c1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19/h8-19,25-28H,4-7,21-24H2,1-3H3/t8-,9+,10-,11+,12-,13-,14+,15+,16-,17+,18+,19+,20-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:8]([C@@H:12]1[CH2:5][CH2:4][C@@H:9]([NH2:22])[C@@H:18]([O:31][C@@H:15]2[C@@H:10]([NH2:23])[CH2:6][C@@H:11]([NH2:24])[C@H:16]([O:32][C@@H:19]3[C@H:14]([OH:27])[C@@H:17]([NH:25][CH3:3])[C@@:20]([CH3:2])([OH:28])[CH2:7][O:29]3)[C@H:13]2[OH:26])[O:30]1)[NH2:21] |
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