| Properties | Image |
| MNX_ID | MNXM339163 |
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| reference | chebi:126680 |
| formula | C22H24N2O4 |
| global charge | 0 |
| mol weight | 380.444 |
| InChIKey | MDIOVYPAGZVSIS-AZUAARDMSA-N |
| InChI | InChI=1S/C22H24N2O4/c1-28-13-19(26)24-18(12-25)20(16-8-4-2-5-9-16)22(24)14-23(15-22)21(27)17-10-6-3-7-11-17/h2-11,18,20,25H,12-15H2,1H3/t18-,20+/m0/s1 |
| SMILES | COCC(=O)N1[C@@H](CO)[C@@H](C2=CC=CC=C2)C12CN(C(=O)C1=CC=CC=C1)C2 |
MNX internals
| InChI (mnx) | InChI=1/C22H24N2O4/c1-28-13-19(26)24-18(12-25)20(16-8-4-2-5-9-16)22(24)14-23(15-22)21(27)17-10-6-3-7-11-17/h2-11,18,20,25H,12-15H2,1H3/t18-,20+/m0/s1 |
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| SMILES (mnx) | [CH3:1][O:28][CH2:13][C:19]([N:24]1[C@@H:18]([CH2:12][OH:25])[C@@H:20]([C:16]2=[CH:8][CH:4]=[CH:2][CH:5]=[CH:9]2)[C:22]12[CH2:14][N:23]([C:21]([C:17]1=[CH:10][CH:6]=[CH:3][CH:7]=[CH:11]1)=[O:27])[CH2:15]2)=[O:26] |
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