| Properties | Image |
|---|
| MNX_ID | MNXM1120654 |
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| reference | chebi:158035 |
| formula | C22H26N6O4 |
| global charge | 0 |
| mol weight | 438.488 |
| InChIKey | PBJOQLUVSGXRSW-YTQUADARSA-N |
| InChI | InChI=1S/C22H26N6O4/c23-16(9-14-11-24-12-26-14)20(29)27-18(21(30)28-7-3-6-19(28)22(31)32)8-13-10-25-17-5-2-1-4-15(13)17/h1-2,4-5,10-12,16,18-19,25H,3,6-9,23H2,(H,24,26)(H,27,29)(H,31,32)/t16-,18-,19+/m0/s1 |
| SMILES | N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C22H26N6O4/c23-16(9-14-11-24-12-26-14)20(29)27-18(21(30)28-7-3-6-19(28)22(31)32)8-13-10-25-17-5-2-1-4-15(13)17/h1-2,4-5,10-12,16,18-19,25H,3,6-9,23H2,(H,24,26)(H,27,29)(H,31,32)/t16-,18-,19+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:17]2[C:15](=[CH:4]1)[C:13]([CH2:8][C@@H:18]([C:21]([N:28]1[CH2:7][CH2:3][CH2:6][C@@H:19]1[C:22](=[O:31])[OH:32])=[O:30])[N:27]=[C:20]([C@H:16]([CH2:9][C:14]1=[CH:11][N:24]=[CH:12][NH:26]1)[NH2:23])[OH:29])=[CH:10][NH:25]2 |
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