| Properties | Image |
|---|
| MNX_ID | MNXM528950 |
 |
| reference | chebi:103329 |
| formula | C22H30N2O5 |
| global charge | 0 |
| mol weight | 402.491 |
| InChIKey | YYKXHGZVSNLVER-IJXRJRJASA-N |
| InChI | InChI=1S/C22H30N2O5/c1-3-4-15-5-6-17-20-19(22(27)28-2)16(13-25)18(12-24(17)21(15)26)23(20)11-14-7-9-29-10-8-14/h3-6,14,16,18-20,25H,7-13H2,1-2H3/t16-,18-,19+,20+/m0/s1 |
| SMILES | CC=CC1=CC=C2[C@@H]3[C@H](C(=O)OC)[C@@H](CO)[C@H](CN2C1=O)N3CC1CCOCC1 |
MNX internals
| InChI (mnx) | InChI=1/C22H30N2O5/c1-3-4-15-5-6-17-20-19(22(27)28-2)16(13-25)18(12-24(17)21(15)26)23(20)11-14-7-9-29-10-8-14/h3-6,14,16,18-20,25H,7-13H2,1-2H3/b4-3?/t16-,18-,19+,20+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:3]=[CH:4][C:15]1=[CH:5][CH:6]=[C:17]2[C@@H:20]3[C@H:19]([C:22](=[O:27])[O:28][CH3:2])[C@@H:16]([CH2:13][OH:25])[C@H:18]([CH2:12][N:24]2[C:21]1=[O:26])[N:23]3[CH2:11][CH:14]1[CH2:7][CH2:9][O:29][CH2:10][CH2:8]1 |
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