| Properties | Image |
| MNX_ID | MNXM1125622 |
 |
| reference | chebi:163034 |
| formula | C14H22N6O6 |
| global charge | 0 |
| mol weight | 370.366 |
| InChIKey | DGHFNYXVIXNNMC-GUBZILKMSA-N |
| InChI | InChI=1S/C14H22N6O6/c15-8(5-21)12(23)19-9(1-2-11(16)22)13(24)20-10(14(25)26)3-7-4-17-6-18-7/h4,6,8-10,21H,1-3,5,15H2,(H2,16,22)(H,17,18)(H,19,23)(H,20,24)(H,25,26)/t8-,9-,10-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H22N6O6/c15-8(5-21)12(23)19-9(1-2-11(16)22)13(24)20-10(14(25)26)3-7-4-17-6-18-7/h4,6,8-10,21H,1-3,5,15H2,(H2,16,22)(H,17,18)(H,19,23)(H,20,24)(H,25,26)/t8-,9-,10-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][C:11](=[NH:16])[OH:22])[C@@H:9]([C:13](=[N:20][C@@H:10]([CH2:3][C:7]1=[CH:4][N:17]=[CH:6][NH:18]1)[C:14](=[O:25])[OH:26])[OH:24])[N:19]=[C:12]([C@H:8]([CH2:5][OH:21])[NH2:15])[OH:23] |
|