| Properties | Image |
|---|
| MNX_ID | MNXM113771 |
 |
| reference | chebi:69383 |
| formula | C22H33NO4 |
| global charge | 0 |
| mol weight | 375.509 |
| InChIKey | GYOGHROCTSEKDY-JJDZUBOLSA-N |
| InChI | InChI=1S/C22H33NO4/c1-4-13-14-7-5-6-8-23-16(17-9-11(2)21(24)26-17)10-15(19(14)23)18-12(3)22(25)27-20(13)18/h11-20H,4-10H2,1-3H3/t11-,12-,13+,14+,15+,16-,17-,18+,19+,20-/m0/s1 |
| SMILES | CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@H](C[C@H]3[C@@H]2C[C@H](C)C(=O)O2)[C@@H]2[C@H]1OC(=O)[C@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C22H33NO4/c1-4-13-14-7-5-6-8-23-16(17-9-11(2)21(24)26-17)10-15(19(14)23)18-12(3)22(25)27-20(13)18/h11-20H,4-10H2,1-3H3/t11-,12-,13+,14+,15+,16-,17-,18+,19+,20-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][C@@H:13]1[C@H:14]2[CH2:7][CH2:5][CH2:6][CH2:8][N:23]3[C@H:16]([C@@H:17]4[CH2:9][C@H:11]([CH3:2])[C:21](=[O:24])[O:26]4)[CH2:10][C@H:15]([C@H:18]4[C@H:12]([CH3:3])[C:22](=[O:25])[O:27][C@@H:20]14)[C@@H:19]23 |
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