| Properties | Image |
|---|
| MNX_ID | MNXM530209 |
 |
| reference | chebi:129016 |
| formula | C22H23N3O3 |
| global charge | 0 |
| mol weight | 377.444 |
| InChIKey | BOAKHLQELDSFEV-IRFCIJBXSA-N |
| InChI | InChI=1S/C22H23N3O3/c1-2-3-15-4-6-16(7-5-15)21-18-12-24(13-20(27)25(18)19(21)14-26)22(28)17-8-10-23-11-9-17/h2-11,18-19,21,26H,12-14H2,1H3/t18-,19-,21+/m0/s1 |
| SMILES | CC=CC1=CC=C([C@H]2[C@H](CO)N3C(=O)CN(C(=O)C4=CC=NC=C4)C[C@@H]23)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C22H23N3O3/c1-2-3-15-4-6-16(7-5-15)21-18-12-24(13-20(27)25(18)19(21)14-26)22(28)17-8-10-23-11-9-17/h2-11,18-19,21,26H,12-14H2,1H3/b3-2?/t18-,19-,21+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:2]=[CH:3][C:15]1=[CH:5][CH:7]=[C:16]([C@@H:21]2[C@@H:18]3[CH2:12][N:24]([C:22]([C:17]4=[CH:9][CH:11]=[N:23][CH:10]=[CH:8]4)=[O:28])[CH2:13][C:20](=[O:27])[N:25]3[C@H:19]2[CH2:14][OH:26])[CH:6]=[CH:4]1 |
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