| Properties | Image |
|---|
| MNX_ID | MNXM105894 |
 |
| reference | chebi:66121 |
| formula | C22H24N2O5 |
| global charge | 0 |
| mol weight | 396.443 |
| InChIKey | AMYRFECRZHSHRT-FKBYEOEOSA-N |
| InChI | InChI=1S/C22H24N2O5/c1-4-21-6-5-17(26)24-8-7-22(20(21)24)13-9-15(25)16(28-2)10-14(13)23-18(22)12(11-21)19(27)29-3/h5-6,9-10,20,23,25H,4,7-8,11H2,1-3H3/t20-,21-,22-/m0/s1 |
| SMILES | CC[C@]12C=CC(=O)N3CC[C@@]4(C5=CC(O)=C(OC)C=C5NC4=C(C(=O)OC)C1)[C@@H]32 |
MNX internals
| InChI (mnx) | InChI=1/C22H24N2O5/c1-4-21-6-5-17(26)24-8-7-22(20(21)24)13-9-15(25)16(28-2)10-14(13)23-18(22)12(11-21)19(27)29-3/h5-6,9-10,20,23,25H,4,7-8,11H2,1-3H3/t20-,21-,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][C@:21]12[CH:6]=[CH:5][C:17](=[O:26])[N:24]3[CH2:8][CH2:7][C@@:22]4([C:13]5=[CH:9][C:15]([OH:25])=[C:16]([O:28][CH3:2])[CH:10]=[C:14]5[NH:23][C:18]4=[C:12]([C:19](=[O:27])[O:29][CH3:3])[CH2:11]1)[C@H:20]23 |
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