| Properties | Image |
|---|
| MNX_ID | MNXM152527 |
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| reference | keggD:D02463 |
| formula | C20H28FN3O6 |
| global charge | 0 |
| mol weight | 425.457 |
| InChIKey | WEGNYJXOCPJAPS-NVJADKKVSA-N |
| InChI | InChI=1S/C20H24FN3O4.2H2O/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27;;/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27);2*1H2/t11-;;/m1../s1 |
| SMILES | CN[C@@H]1CCCN(C2=C(F)C=C3C(=O)C(C(=O)O)=CN(C4CC4)C3=C2OC)C1.O.O |
MNX internals
| InChI (mnx) | InChI=1/C20H24FN3O4.2H2O/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27;;/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27);2*1H2/t11-;;/m1../s1 |
 |
| SMILES (mnx) | [CH3:1][NH:22][C@@H:11]1[CH2:4][CH2:3][CH2:7][N:23]([C:17]2=[C:15]([F:21])[CH:8]=[C:13]3[C:16](=[C:19]2[O:28][CH3:2])[N:24]([CH:12]2[CH2:5][CH2:6]2)[CH:10]=[C:14]([C:20](=[O:26])[OH:27])[C:18]3=[O:25])[CH2:9]1.[OH2:29].[OH2:30] |
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