| Properties | Image |
|---|
| MNX_ID | MNXM1183294 |
 |
| reference | envipathM:...1b63840f5ac6 |
| formula | C21H29N2O8 |
| global charge | -1 |
| mol weight | 437.469 |
| InChIKey | VQOCHFSMGJGNOG-UHFFFAOYSA-M |
| InChI | InChI=1S/C21H30N2O8/c1-14-6-5-7-15(2)16(14)21(28,18(25)26)17(31-19(27)30-13-12-24)20(22-3)8-10-23(29-4)11-9-20/h5-7,12,17,22,28H,8-11,13H2,1-4H3,(H,25,26)/p-1 |
| SMILES | CNC1(C(OC(=O)OCC=O)C(O)(C(=O)[O-])C2=C(C)C=CC=C2C)CCN(OC)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C21H30N2O8/c1-14-6-5-7-15(2)16(14)21(28,18(25)26)17(31-19(27)30-13-12-24)20(22-3)8-10-23(29-4)11-9-20/h5-7,12,17,22,28H,8-11,13H2,1-4H3,(H,25,26)/t17?,21? |
 |
| SMILES (mnx) | [CH3:1][C:14]1=[C:16]([C:21]([CH:17]([C:20]2([NH:22][CH3:3])[CH2:8][CH2:10][N:23]([O:29][CH3:4])[CH2:11][CH2:9]2)[O:31][C:19](=[O:27])[O:30][CH2:13][CH:12]=[O:24])([C:18](=[O:25])[OH:26])[OH:28])[C:15]([CH3:2])=[CH:7][CH:5]=[CH:6]1 |
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