| Properties | Image |
|---|
| MNX_ID | MNXM1122697 |
 |
| reference | chebi:160091 |
| formula | C13H20N6O6 |
| global charge | 0 |
| mol weight | 356.339 |
| InChIKey | DOURAOODTFJRIC-CIUDSAMLSA-N |
| InChI | InChI=1S/C13H20N6O6/c14-7(2-10(15)21)11(22)19-9(4-20)12(23)18-8(13(24)25)1-6-3-16-5-17-6/h3,5,7-9,20H,1-2,4,14H2,(H2,15,21)(H,16,17)(H,18,23)(H,19,22)(H,24,25)/t7-,8-,9-/m0/s1 |
| SMILES | NC(=O)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H20N6O6/c14-7(2-10(15)21)11(22)19-9(4-20)12(23)18-8(13(24)25)1-6-3-16-5-17-6/h3,5,7-9,20H,1-2,4,14H2,(H2,15,21)(H,16,17)(H,18,23)(H,19,22)(H,24,25)/t7-,8-,9-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([C:6]1=[CH:3][N:16]=[CH:5][NH:17]1)[C@@H:8]([C:13](=[O:24])[OH:25])[N:18]=[C:12]([C@H:9]([CH2:4][OH:20])[N:19]=[C:11]([C@H:7]([CH2:2][C:10](=[NH:15])[OH:21])[NH2:14])[OH:22])[OH:23] |
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