| Properties | Image |
| MNX_ID | MNXM171634 |
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| reference | chebi:100628 |
| formula | C26H26N4O5 |
| global charge | 0 |
| mol weight | 474.517 |
| InChIKey | ZBGRYIWHFJMRFQ-JVODISISSA-N |
| InChI | InChI=1S/C26H26N4O5/c1-35-15-22(32)30-23-19(20(14-31)24(30)25(33)28-17-7-3-2-4-8-17)13-29-21(23)10-9-18(26(29)34)16-6-5-11-27-12-16/h2-12,19-20,23-24,31H,13-15H2,1H3,(H,28,33)/t19-,20-,23+,24-/m0/s1 |
| SMILES | COCC(=O)N1[C@H](C(=O)NC2=CC=CC=C2)[C@@H](CO)[C@@H]2CN3C(=O)C(C4=CN=CC=C4)=CC=C3[C@@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C26H26N4O5/c1-35-15-22(32)30-23-19(20(14-31)24(30)25(33)28-17-7-3-2-4-8-17)13-29-21(23)10-9-18(26(29)34)16-6-5-11-27-12-16/h2-12,19-20,23-24,31H,13-15H2,1H3,(H,28,33)/t19-,20-,23+,24-/m0/s1 |
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| SMILES (mnx) | [CH3:1][O:35][CH2:15][C:22]([N:30]1[C@@H:23]2[C@@H:19]([CH2:13][N:29]3[C:21]2=[CH:10][CH:9]=[C:18]([C:16]2=[CH:12][N:27]=[CH:11][CH:5]=[CH:6]2)[C:26]3=[O:34])[C@H:20]([CH2:14][OH:31])[C@H:24]1[C:25](=[N:28][C:17]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)[OH:33])=[O:32] |
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