| Properties | Image |
|---|
| MNX_ID | MNXM1178671 |
 |
| reference | envipathM:...a74f35926256 |
| formula | C26H33FN4O9 |
| global charge | 0 |
| mol weight | 564.567 |
| InChIKey | HFFKHILHGIVNAK-VOXYKXHUSA-N |
| InChI | InChI=1S/C26H33FN4O9/c1-4-30-11-16(22(34)15-9-17(27)19(10-18(15)30)31-7-5-28-6-8-31)25(36)29-21-23(35)24(39-14(3)33)20(40-26(21)37)12-38-13(2)32/h9-11,20-21,23-24,26,28,35,37H,4-8,12H2,1-3H3,(H,29,36)/t20-,21-,23+,24?,26-/m0/s1 |
| SMILES | CCN1C=C(C(=O)N[C@@H]2[C@@H](O)O[C@@H](COC(C)=O)C(OC(C)=O)[C@@H]2O)C(=O)C2=C1C=C(N1CCNCC1)C(F)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C26H33FN4O9/c1-4-30-11-16(22(34)15-9-17(27)19(10-18(15)30)31-7-5-28-6-8-31)25(36)29-21-23(35)24(39-14(3)33)20(40-26(21)37)12-38-13(2)32/h9-11,20-21,23-24,26,28,35,37H,4-8,12H2,1-3H3,(H,29,36)/t20-,21-,23+,24?,26-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][N:30]1[CH:11]=[C:16]([C:25](=[N:29][C@H:21]2[C@@H:23]([OH:35])[CH:24]([O:39][C:14]([CH3:3])=[O:33])[C@H:20]([CH2:12][O:38][C:13]([CH3:2])=[O:32])[O:40][C@@H:26]2[OH:37])[OH:36])[C:22](=[O:34])[C:15]2=[CH:9][C:17]([F:27])=[C:19]([N:31]3[CH2:7][CH2:5][NH:28][CH2:6][CH2:8]3)[CH:10]=[C:18]21 |
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