| Properties | Image |
|---|
| MNX_ID | MNXM10344 |
 |
| reference | chebi:81649 |
| formula | C22H21ClN2O8 |
| global charge | 0 |
| mol weight | 476.869 |
| InChIKey | ZWVGXYMEBVFNGR-GUQUGOGCSA-N |
| InChI | InChI=1S/C22H21ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,8,15,26,28,32-33H,6H2,1-3H3,(H2,24,31)/t8-,15-,21-,22-/m0/s1 |
| SMILES | CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(C[C@@H]12)[C@](C)(O)C1=C(Cl)C=CC(O)=C1C3=O |
MNX internals
| InChI (mnx) | InChI=1/C22H21ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,8,15,26,28,32-33H,6H2,1-3H3,(H2,24,31)/t8-,15-,21-,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:21]1([OH:32])[C:7]2=[C:11]([C:16](=[O:27])[C:12]3=[C:10]([OH:26])[CH:5]=[CH:4][C:9]([Cl:23])=[C:14]31)[C:18](=[O:29])[C@@:22]1([OH:33])[C@@H:8]([CH2:6]2)[C@H:15]([N:25]([CH3:2])[CH3:3])[C:17]([OH:28])=[C:13]([C:20](=[NH:24])[OH:31])[C:19]1=[O:30] |
|