| Properties | Image |
|---|
| MNX_ID | MNXM148211 |
 |
| reference | metacycM:CPD-17886 |
| formula | C25H22N4O5 |
| global charge | 0 |
| mol weight | 458.474 |
| InChIKey | BJECLNQPLFRMKX-KPCPBYSCSA-N |
| InChI | InChI=1S/C25H22N4O5/c1-13(30)19-26-16-10-6-4-8-14(16)20(31)28(19)18-12-25(34-21(18)32)15-9-5-7-11-17(15)29-22(25)27-24(2,3)23(29)33/h4-11,18,22,27H,12H2,1-3H3/t18-,22-,25+/m1/s1 |
| SMILES | CC(=O)C1=NC2=C(C=CC=C2)C(=O)N1[C@@H]1C[C@]2(OC1=O)C1=C(C=CC=C1)N1C(=O)C(C)(C)N[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C25H22N4O5/c1-13(30)19-26-16-10-6-4-8-14(16)20(31)28(19)18-12-25(34-21(18)32)15-9-5-7-11-17(15)29-22(25)27-24(2,3)23(29)33/h4-11,18,22,27H,12H2,1-3H3/t18-,22-,25+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13]([C:19]1=[N:26][C:16]2=[CH:10][CH:6]=[CH:4][CH:8]=[C:14]2[C:20](=[O:31])[N:28]1[C@@H:18]1[CH2:12][C@@:25]2([C:15]3=[CH:9][CH:5]=[CH:7][CH:11]=[C:17]3[N:29]3[C@H:22]2[NH:27][C:24]([CH3:2])([CH3:3])[C:23]3=[O:33])[O:34][C:21]1=[O:32])=[O:30] |
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