| Properties | Image |
|---|
| MNX_ID | MNXM161249 |
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| reference | keggD:D09718 |
| formula | C27H26N6O4 |
| global charge | 0 |
| mol weight | 498.543 |
| InChIKey | RVEUYBMXVVDLFO-UHFFFAOYSA-N |
| InChI | InChI=1S/C25H22N6O2.C2H4O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18;1-2(3)4/h2-9,14,26H,10-13H2,1H3,(H,29,32,33);1H3,(H,3,4) |
| SMILES | CC(=O)O.CN1CCN(C2=NC(C3=C(C4=CNC5=C4C=CC=C5)C(=O)NC3=O)=C3C=CC=CC3=N2)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C25H22N6O2.C2H4O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18;1-2(3)4/h2-9,14,26H,10-13H2,1H3,(H,29,32,33);1H3,(H,3,4) |
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| SMILES (mnx) | [CH3:1][N:30]1[CH2:10][CH2:12][N:31]([C:25]2=[N:27][C:19]3=[CH:9][CH:5]=[CH:3][CH:7]=[C:16]3[C:22]([C:21]3=[C:20]([C:17]4=[CH:14][NH:26][C:18]5=[CH:8][CH:4]=[CH:2][CH:6]=[C:15]45)[C:23]([OH:32])=[N:29][C:24]3=[O:33])=[N:28]2)[CH2:13][CH2:11]1.[CH3:34][C:35](=[O:36])[OH:37] |
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