| Properties | Image |
|---|
| MNX_ID | MNXM1182669 |
 |
| reference | envipathM:...8f0185c0ac79 |
| formula | C27H26FN2O6 |
| global charge | -1 |
| mol weight | 493.511 |
| InChIKey | SEQBORFHPSJOKD-UHFFFAOYSA-M |
| InChI | InChI=1S/C27H27FN2O6/c1-15(2)25-24(27(29)36)23(16-6-4-3-5-7-16)26(17-8-10-18(28)11-9-17)30(25)14-21(33)20(32)12-19(31)13-22(34)35/h3-11,15,19,31H,12-14H2,1-2H3,(H2,29,36)(H,34,35)/p-1 |
| SMILES | CC(C)C1=C(C(N)=O)C(C2=CC=CC=C2)=C(C2=CC=C(F)C=C2)N1CC(=O)C(=O)CC(O)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C27H27FN2O6/c1-15(2)25-24(27(29)36)23(16-6-4-3-5-7-16)26(17-8-10-18(28)11-9-17)30(25)14-21(33)20(32)12-19(31)13-22(34)35/h3-11,15,19,31H,12-14H2,1-2H3,(H2,29,36)(H,34,35)/t19? |
 |
| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[C:25]1=[C:24]([C:27](=[NH:29])[OH:36])[C:23]([C:16]2=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]2)=[C:26]([C:17]2=[CH:9][CH:11]=[C:18]([F:28])[CH:10]=[CH:8]2)[N:30]1[CH2:14][C:21]([C:20]([CH2:12][CH:19]([CH2:13][C:22](=[O:34])[OH:35])[OH:31])=[O:32])=[O:33] |
|