| Properties | Image |
|---|
| MNX_ID | MNXM530046 |
 |
| reference | chebi:127259 |
| formula | C26H28N2O3 |
| global charge | 0 |
| mol weight | 416.521 |
| InChIKey | TULNDZSSKZKGPL-UMFSSWHCSA-N |
| InChI | InChI=1S/C26H28N2O3/c29-17-23-26(21-12-10-19(11-13-21)7-6-18-4-2-1-3-5-18)22-15-27(16-25(31)28(22)23)24(30)14-20-8-9-20/h1-7,10-13,20,22-23,26,29H,8-9,14-17H2/t22-,23+,26+/m1/s1 |
| SMILES | O=C(CC1CC1)N1CC(=O)N2[C@H](C1)[C@H](C1=CC=C(C=CC3=CC=CC=C3)C=C1)[C@@H]2CO |
MNX internals
| InChI (mnx) | InChI=1/C26H28N2O3/c29-17-23-26(21-12-10-19(11-13-21)7-6-18-4-2-1-3-5-18)22-15-27(16-25(31)28(22)23)24(30)14-20-8-9-20/h1-7,10-13,20,22-23,26,29H,8-9,14-17H2/b7-6?/t22-,23+,26+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:18]([CH:6]=[CH:7][C:19]2=[CH:11][CH:13]=[C:21]([C@H:26]3[C@H:22]4[CH2:15][N:27]([C:24]([CH2:14][CH:20]5[CH2:8][CH2:9]5)=[O:30])[CH2:16][C:25](=[O:31])[N:28]4[C@H:23]3[CH2:17][OH:29])[CH:12]=[CH:10]2)[CH:5]=[CH:3]1 |
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