| Properties | Image |
| MNX_ID | MNXM171258 |
 |
| reference | chebi:127912 |
| formula | C23H28N4O3 |
| global charge | 0 |
| mol weight | 408.502 |
| InChIKey | SIKHWUIDTFHNIZ-TZIWHRDSSA-N |
| InChI | InChI=1S/C23H28N4O3/c1-16(2)25-22(30)27-19(13-28)21(18-8-4-3-5-9-18)23(27)14-26(15-23)20(29)11-17-7-6-10-24-12-17/h3-10,12,16,19,21,28H,11,13-15H2,1-2H3,(H,25,30)/t19-,21-/m1/s1 |
| SMILES | CC(C)NC(=O)N1[C@H](CO)[C@@H](C2=CC=CC=C2)C12CN(C(=O)CC1=CN=CC=C1)C2 |
MNX internals
| InChI (mnx) | InChI=1/C23H28N4O3/c1-16(2)25-22(30)27-19(13-28)21(18-8-4-3-5-9-18)23(27)14-26(15-23)20(29)11-17-7-6-10-24-12-17/h3-10,12,16,19,21,28H,11,13-15H2,1-2H3,(H,25,30)/t19-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:16]([CH3:2])[N:25]=[C:22]([N:27]1[C@H:19]([CH2:13][OH:28])[C@@H:21]([C:18]2=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]2)[C:23]12[CH2:14][N:26]([C:20]([CH2:11][C:17]1=[CH:12][N:24]=[CH:10][CH:6]=[CH:7]1)=[O:29])[CH2:15]2)[OH:30] |
|