| Properties | Image |
|---|
| MNX_ID | MNXM1127278 |
 |
| reference | chebi:164700 |
| formula | C19H22N6O4 |
| global charge | 0 |
| mol weight | 398.423 |
| InChIKey | XLVRTKPAIXJYOH-HOCLYGCPSA-N |
| InChI | InChI=1S/C19H22N6O4/c20-14(5-11-7-22-15-4-2-1-3-13(11)15)18(28)25-16(6-12-8-21-10-24-12)19(29)23-9-17(26)27/h1-4,7-8,10,14,16,22H,5-6,9,20H2,(H,21,24)(H,23,29)(H,25,28)(H,26,27)/t14-,16-/m0/s1 |
| SMILES | N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H22N6O4/c20-14(5-11-7-22-15-4-2-1-3-13(11)15)18(28)25-16(6-12-8-21-10-24-12)19(29)23-9-17(26)27/h1-4,7-8,10,14,16,22H,5-6,9,20H2,(H,21,24)(H,23,29)(H,25,28)(H,26,27)/t14-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:15]2[C:13](=[CH:3]1)[C:11]([CH2:5][C@@H:14]([C:18](=[N:25][C@@H:16]([CH2:6][C:12]1=[CH:8][N:21]=[CH:10][NH:24]1)[C:19](=[N:23][CH2:9][C:17](=[O:26])[OH:27])[OH:29])[OH:28])[NH2:20])=[CH:7][NH:22]2 |
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