| Properties | Image |
| MNX_ID | MNXM1364613 |
 |
| reference | chebi:179521 |
| formula | C12H21N7O3 |
| global charge | 0 |
| mol weight | 311.346 |
| InChIKey | NIKBMHGRNAPJFW-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H21N7O3/c13-8(4-7-5-16-6-18-7)10(20)19-9(11(21)22)2-1-3-17-12(14)15/h5-6,8-9H,1-4,13H2,(H,16,18)(H,19,20)(H,21,22)(H4,14,15,17) |
| SMILES | NC(N)=NCCCC(NC(=O)C(N)CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H21N7O3/c13-8(4-7-5-16-6-18-7)10(20)19-9(11(21)22)2-1-3-17-12(14)15/h5-6,8-9H,1-4,13H2,(H,16,18)(H,19,20)(H,21,22)(H4,14,15,17)/t8?,9? |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH:9]([C:11](=[O:21])[OH:22])[N:19]=[C:10]([CH:8]([CH2:4][C:7]1=[CH:5][N:16]=[CH:6][NH:18]1)[NH2:13])[OH:20])[CH2:3][NH:17][C:12](=[NH:14])[NH2:15] |
|