| Properties | Image |
|---|
| MNX_ID | MNXM530100 |
 |
| reference | chebi:127830 |
| formula | C22H32N2O2 |
| global charge | 0 |
| mol weight | 356.51 |
| InChIKey | WUTWOTUGUGYJMW-PWRODBHTSA-N |
| InChI | InChI=1S/C22H32N2O2/c1-3-7-16-10-12-17(13-11-16)21-19(14-23-4-2)24(20(21)15-25)22(26)18-8-5-6-9-18/h3,7,10-13,18-21,23,25H,4-6,8-9,14-15H2,1-2H3/t19-,20+,21+/m0/s1 |
| SMILES | CC=CC1=CC=C([C@H]2[C@@H](CO)N(C(=O)C3CCCC3)[C@H]2CNCC)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C22H32N2O2/c1-3-7-16-10-12-17(13-11-16)21-19(14-23-4-2)24(20(21)15-25)22(26)18-8-5-6-9-18/h3,7,10-13,18-21,23,25H,4-6,8-9,14-15H2,1-2H3/b7-3?/t19-,20+,21+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:3]=[CH:7][C:16]1=[CH:11][CH:13]=[C:17]([C@@H:21]2[C@H:19]([CH2:14][NH:23][CH2:4][CH3:2])[N:24]([C:22]([CH:18]3[CH2:8][CH2:5][CH2:6][CH2:9]3)=[O:26])[C@@H:20]2[CH2:15][OH:25])[CH:12]=[CH:10]1 |
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