| Properties | Image |
|---|
| MNX_ID | MNXM1183653 |
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| reference | envipathM:...6b88a8901340 |
| formula | C21H27N2O8 |
| global charge | -1 |
| mol weight | 435.453 |
| InChIKey | KATSILLCOXJCKE-UHFFFAOYSA-M |
| InChI | InChI=1S/C21H28N2O8/c1-14-5-4-6-15(13-25)16(14)17(19(26)27)18(31-20(28)30-12-11-24)21(22-2)7-9-23(29-3)10-8-21/h4-6,11,22,25H,7-10,12-13H2,1-3H3,(H,26,27)/p-1 |
| SMILES | CNC1(C(OC(=O)OCC=O)=C(C(=O)[O-])C2=C(CO)C=CC=C2C)CCN(OC)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C21H28N2O8/c1-14-5-4-6-15(13-25)16(14)17(19(26)27)18(31-20(28)30-12-11-24)21(22-2)7-9-23(29-3)10-8-21/h4-6,11,22,25H,7-10,12-13H2,1-3H3,(H,26,27)/b18-17? |
 |
| SMILES (mnx) | [CH3:1][C:14]1=[C:16]([C:17](=[C:18]([C:21]2([NH:22][CH3:2])[CH2:7][CH2:9][N:23]([O:29][CH3:3])[CH2:10][CH2:8]2)[O:31][C:20](=[O:28])[O:30][CH2:12][CH:11]=[O:24])[C:19](=[O:26])[OH:27])[C:15]([CH2:13][OH:25])=[CH:6][CH:4]=[CH:5]1 |
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