| Properties | Image |
|---|
| MNX_ID | MNXM819788 |
 |
| reference | sabiorkM:31257 |
| formula | C21H21ClN2O8 |
| global charge | 0 |
| mol weight | 464.858 |
| InChIKey | GUXHBMASAHGULD-SEYHBJAFSA-N |
| InChI | InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14-,15-,21-/m0/s1 |
| SMILES | CN(C)[C@@H]1C(=O)C(C(=N)O)=C(O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC(Cl)=C4[C@@H](O)[C@H]3C[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14-,15-,21-/m0/s1 |
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| SMILES (mnx) | [CH3:1][N:24]([CH3:2])[C@H:14]1[C@@H:7]2[CH2:5][C@H:6]3[C:10](=[C:16]([OH:27])[C:12]4=[C:9]([OH:25])[CH:4]=[CH:3][C:8]([Cl:22])=[C:11]4[C@H:15]3[OH:26])[C:18](=[O:29])[C@:21]2([OH:32])[C:19]([OH:30])=[C:13]([C:20](=[NH:23])[OH:31])[C:17]1=[O:28] |
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