| Properties | Image |
|---|
| MNX_ID | MNXM162718 |
 |
| reference | chebi:90602 |
| formula | C18H19N3O10P*2 |
| global charge | -1 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]N[C@@H](CC1=CC=C(OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)C=C1)C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C20H26N3O10P/c1-11(24)14(21-2)9-12-3-5-13(6-4-12)33-34(29,30)31-10-15-17(26)18(27)19(32-15)23-8-7-16(25)22-20(23)28/h3-8,14-15,17-19,21,26-27H,9-10H2,1-2H3,(H,29,30)(H,22,25,28)/t14-,15+,17+,18+,19+/m0/s1/i1+1,2+1 |
 |
| SMILES (mnx) | [13CH3:1][C:11]([C@H:14]([CH2:9][C:12]1=[CH:4][CH:6]=[C:13]([O:33][P:34]([OH:29])(=[O:30])[O:31][CH2:10][C@@H:15]2[C@@H:17]([OH:26])[C@@H:18]([OH:27])[C@H:19]([N:23]3[CH:8]=[CH:7][C:16]([OH:25])=[N:22][C:20]3=[O:28])[O:32]2)[CH:5]=[CH:3]1)[NH:21][13CH3:2])=[O:24] |
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