| Properties | Image |
|---|
| MNX_ID | MNXM1120642 |
 |
| reference | chebi:158023 |
| formula | C23H26N8O4 |
| global charge | 0 |
| mol weight | 478.513 |
| InChIKey | XSEAJSPAOTZXJE-IHPCNDPISA-N |
| InChI | InChI=1S/C23H26N8O4/c24-17(6-14-9-25-11-28-14)21(32)30-19(5-13-8-27-18-4-2-1-3-16(13)18)22(33)31-20(23(34)35)7-15-10-26-12-29-15/h1-4,8-12,17,19-20,27H,5-7,24H2,(H,25,28)(H,26,29)(H,30,32)(H,31,33)(H,34,35)/t17-,19-,20-/m0/s1 |
| SMILES | N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H26N8O4/c24-17(6-14-9-25-11-28-14)21(32)30-19(5-13-8-27-18-4-2-1-3-16(13)18)22(33)31-20(23(34)35)7-15-10-26-12-29-15/h1-4,8-12,17,19-20,27H,5-7,24H2,(H,25,28)(H,26,29)(H,30,32)(H,31,33)(H,34,35)/t17-,19-,20-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:18]2[C:16](=[CH:3]1)[C:13]([CH2:5][C@@H:19]([C:22](=[N:31][C@@H:20]([CH2:7][C:15]1=[CH:10][N:26]=[CH:12][NH:29]1)[C:23](=[O:34])[OH:35])[OH:33])[N:30]=[C:21]([C@H:17]([CH2:6][C:14]1=[CH:9][N:25]=[CH:11][NH:28]1)[NH2:24])[OH:32])=[CH:8][NH:27]2 |
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