| Properties | Image |
|---|
| MNX_ID | MNXM734073 |
 |
| reference | seedM:cpd15400 |
| formula | C26H41N5O14 |
| global charge | -2 |
| mol weight | 647.635 |
| InChIKey | KGVLFEPQSVUIRC-FYQNUYSYSA-L |
| InChI | InChI=1S/C26H43N5O14/c1-11(28-23(38)12(2)45-21-17(29-13(3)33)10-44-18(9-32)20(21)36)22(37)30-15(7-8-19(34)35)24(39)31-16(26(42)43)6-4-5-14(27)25(40)41/h11-12,14-18,20-21,32,36H,4-10,27H2,1-3H3,(H,28,38)(H,29,33)(H,30,37)(H,31,39)(H,34,35)(H,40,41)(H,42,43)/p-2/t11-,12+,14?,15+,16-,17-,18+,20+,21+/m0/s1 |
| SMILES | CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](CCCC([NH3+])C(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C26H43N5O14/c1-11(28-23(38)12(2)45-21-17(29-13(3)33)10-44-18(9-32)20(21)36)22(37)30-15(7-8-19(34)35)24(39)31-16(26(42)43)6-4-5-14(27)25(40)41/h11-12,14-18,20-21,32,36H,4-10,27H2,1-3H3,(H,28,38)(H,29,33)(H,30,37)(H,31,39)(H,34,35)(H,40,41)(H,42,43)/t11-,12+,14?,15+,16-,17-,18+,20+,21+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:11]([C:22](=[N:30][C@H:15]([CH2:7][CH2:8][C:19](=[O:34])[OH:35])[C:24](=[N:31][C@@H:16]([CH2:6][CH2:4][CH2:5][CH:14]([C:25](=[O:40])[OH:41])[NH2:27])[C:26](=[O:42])[OH:43])[OH:39])[OH:37])[N:28]=[C:23]([C@@H:12]([CH3:2])[O:45][C@@H:21]1[C@@H:17]([N:29]=[C:13]([CH3:3])[OH:33])[CH2:10][O:44][C@H:18]([CH2:9][OH:32])[C@H:20]1[OH:36])[OH:38] |
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