| Properties | Image |
| MNX_ID | MNXM171665 |
 |
| reference | chebi:103054 |
| formula | C26H35N3O3 |
| global charge | 0 |
| mol weight | 437.584 |
| InChIKey | JLGYBICAMNQLPS-ZQRMPTRQSA-N |
| InChI | InChI=1S/C26H35N3O3/c30-16-21-20-15-28-22(11-10-19(25(28)31)18-6-2-3-7-18)23(20)29(14-17-8-9-17)24(21)26(32)27-12-4-1-5-13-27/h6,10-11,17,20-21,23-24,30H,1-5,7-9,12-16H2/t20-,21-,23+,24-/m0/s1 |
| SMILES | O=C([C@@H]1[C@@H](CO)[C@@H]2CN3C(=O)C(C4=CCCC4)=CC=C3[C@@H]2N1CC1CC1)N1CCCCC1 |
MNX internals
| InChI (mnx) | InChI=1/C26H35N3O3/c30-16-21-20-15-28-22(11-10-19(25(28)31)18-6-2-3-7-18)23(20)29(14-17-8-9-17)24(21)26(32)27-12-4-1-5-13-27/h6,10-11,17,20-21,23-24,30H,1-5,7-9,12-16H2/t20-,21-,23+,24-/m0/s1 |
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| SMILES (mnx) | [CH2:1]1[CH2:4][CH2:12][N:27]([C:26]([C@@H:24]2[C@@H:21]([CH2:16][OH:30])[C@@H:20]3[CH2:15][N:28]4[C:22](=[CH:11][CH:10]=[C:19]([C:18]5=[CH:6][CH2:2][CH2:3][CH2:7]5)[C:25]4=[O:31])[C@@H:23]3[N:29]2[CH2:14][CH:17]2[CH2:8][CH2:9]2)=[O:32])[CH2:13][CH2:5]1 |
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