| Properties | Image |
|---|
| MNX_ID | MNXM530196 |
 |
| reference | chebi:128922 |
| formula | C23H27N3O3 |
| global charge | 0 |
| mol weight | 393.487 |
| InChIKey | NGLDGHULOYFZMR-MQSCRBSSSA-N |
| InChI | InChI=1S/C23H27N3O3/c1-3-5-17-7-9-19(10-8-17)23-20(14-25-16(2)28)26(21(23)15-27)22(29)12-18-6-4-11-24-13-18/h3-11,13,20-21,23,27H,12,14-15H2,1-2H3,(H,25,28)/t20-,21-,23-/m1/s1 |
| SMILES | CC=CC1=CC=C([C@H]2[C@@H](CO)N(C(=O)CC3=CN=CC=C3)[C@@H]2CNC(C)=O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C23H27N3O3/c1-3-5-17-7-9-19(10-8-17)23-20(14-25-16(2)28)26(21(23)15-27)22(29)12-18-6-4-11-24-13-18/h3-11,13,20-21,23,27H,12,14-15H2,1-2H3,(H,25,28)/b5-3?/t20-,21-,23-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:3]=[CH:5][C:17]1=[CH:8][CH:10]=[C:19]([C@@H:23]2[C@@H:20]([CH2:14][N:25]=[C:16]([CH3:2])[OH:28])[N:26]([C:22]([CH2:12][C:18]3=[CH:13][N:24]=[CH:11][CH:4]=[CH:6]3)=[O:29])[C@@H:21]2[CH2:15][OH:27])[CH:9]=[CH:7]1 |
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