| Properties | Image |
|---|
| MNX_ID | MNXM528649 |
 |
| reference | chebi:102088 |
| formula | C23H27N3O3 |
| global charge | 0 |
| mol weight | 393.487 |
| InChIKey | JIIRQJXSNNBKIS-FMWKFLBASA-N |
| InChI | InChI=1S/C23H27N3O3/c27-14-17-18-13-26-19(10-9-16(22(26)28)15-7-3-1-4-8-15)21(24-18)20(17)23(29)25-11-5-2-6-12-25/h1,3-4,7-10,17-18,20-21,24,27H,2,5-6,11-14H2/t17-,18-,20+,21+/m0/s1 |
| SMILES | O=C([C@@H]1[C@@H](CO)[C@@H]2CN3C(=O)C(C4=CC=CC=C4)=CC=C3[C@H]1N2)N1CCCCC1 |
MNX internals
| InChI (mnx) | InChI=1/C23H27N3O3/c27-14-17-18-13-26-19(10-9-16(22(26)28)15-7-3-1-4-8-15)21(24-18)20(17)23(29)25-11-5-2-6-12-25/h1,3-4,7-10,17-18,20-21,24,27H,2,5-6,11-14H2/t17-,18-,20+,21+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][CH:7]=[C:15]([C:16]2=[CH:9][CH:10]=[C:19]3[C@@H:21]4[C@H:20]([C:23]([N:25]5[CH2:11][CH2:5][CH2:2][CH2:6][CH2:12]5)=[O:29])[C@@H:17]([CH2:14][OH:27])[C@H:18]([CH2:13][N:26]3[C:22]2=[O:28])[NH:24]4)[CH:8]=[CH:4]1 |
|