| Properties | Image |
| MNX_ID | MNXM1122361 |
 |
| reference | chebi:159754 |
| formula | C9H16N4O5 |
| global charge | 0 |
| mol weight | 260.25 |
| InChIKey | CTQIOCMSIJATNX-WHFBIAKZSA-N |
| InChI | InChI=1S/C9H16N4O5/c1-4(9(17)18)13-7(15)3-12-8(16)5(10)2-6(11)14/h4-5H,2-3,10H2,1H3,(H2,11,14)(H,12,16)(H,13,15)(H,17,18)/t4-,5-/m0/s1 |
| SMILES | C[C@H](NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C9H16N4O5/c1-4(9(17)18)13-7(15)3-12-8(16)5(10)2-6(11)14/h4-5H,2-3,10H2,1H3,(H2,11,14)(H,12,16)(H,13,15)(H,17,18)/t4-,5-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:4]([C:9](=[O:17])[OH:18])[N:13]=[C:7]([CH2:3][N:12]=[C:8]([C@H:5]([CH2:2][C:6](=[NH:11])[OH:14])[NH2:10])[OH:16])[OH:15] |
|