| Properties | Image |
|---|
| MNX_ID | MNXM152219 |
 |
| reference | keggD:D11723 |
| formula | C24H29ClN2O9 |
| global charge | 0 |
| mol weight | 524.954 |
| InChIKey | TZNOWAJJWCGILX-HNUXRKMMSA-N |
| InChI | InChI=1S/C20H25ClN2O5.C4H4O4/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;5-3(6)1-2-4(7)8/h5-8,17,23H,4,9-11,22H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-;/m0./s1 |
| SMILES | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1C1=CC=CC=C1Cl.O=C(O)/C=C\C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H25ClN2O5.C4H4O4/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;5-3(6)1-2-4(7)8/h5-8,17,23H,4,9-11,22H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-;/m0./s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][O:28][C:20]([C:18]1=[C:15]([CH2:11][O:27][CH2:10][CH2:9][NH2:22])[NH:23][C:12]([CH3:2])=[C:16]([C:19](=[O:24])[O:26][CH3:3])[C@@H:17]1[C:13]1=[CH:7][CH:5]=[CH:6][CH:8]=[C:14]1[Cl:21])=[O:25].[CH:29](=[CH:30]\[C:32](=[O:35])[OH:36])\[C:31](=[O:33])[OH:34] |
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