| Properties | Image |
|---|
| MNX_ID | MNXM118849 |
 |
| reference | chebi:76003 |
| formula | C32H33ClFN5O11 |
| global charge | 0 |
| mol weight | 718.091 |
| InChIKey | USNRYVNRPYXCSP-JUGPPOIOSA-N |
| InChI | InChI=1S/C24H25ClFN5O3.2C4H4O4/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15;2*5-3(6)1-2-4(7)8/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29);2*1-2H,(H,5,6)(H,7,8)/b4-3+;2*2-1-/t16-;;/m0../s1 |
| SMILES | CN(C)C/C=C/C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H25ClFN5O3.2C4H4O4/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15;2*5-3(6)1-2-4(7)8/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29);2*1-2H,(H,5,6)(H,7,8)/b4-3+;2*2-1-/t16-;;/m0../s1 |
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| SMILES (mnx) | [CH3:1][N:31]([CH3:2])[CH2:8]/[CH:3]=[CH:4]/[C:23](=[N:30]/[C:21]1=[C:22]([O:34][C@H:16]2[CH2:7][CH2:9][O:33][CH2:13]2)[CH:12]=[C:20]2[C:17](=[CH:11]1)[C:24]([NH:29][C:15]1=[CH:10][C:18]([Cl:25])=[C:19]([F:26])[CH:6]=[CH:5]1)=[N:28][CH:14]=[N:27]2)[OH:32].[CH:35](=[CH:36]\[C:38](=[O:41])[OH:42])\[C:37](=[O:39])[OH:40].[CH:43](=[CH:44]\[C:46](=[O:49])[OH:50])\[C:45](=[O:47])[OH:48] |
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