| Properties | Image |
|---|
| MNX_ID | MNXM1122975 |
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| reference | chebi:160373 |
| formula | C14H20N6O7 |
| global charge | 0 |
| mol weight | 384.349 |
| InChIKey | VBVKSAFJPVXMFJ-CIUDSAMLSA-N |
| InChI | InChI=1S/C14H20N6O7/c15-7(2-11(22)23)12(24)19-8(3-10(16)21)13(25)20-9(14(26)27)1-6-4-17-5-18-6/h4-5,7-9H,1-3,15H2,(H2,16,21)(H,17,18)(H,19,24)(H,20,25)(H,22,23)(H,26,27)/t7-,8-,9-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H20N6O7/c15-7(2-11(22)23)12(24)19-8(3-10(16)21)13(25)20-9(14(26)27)1-6-4-17-5-18-6/h4-5,7-9H,1-3,15H2,(H2,16,21)(H,17,18)(H,19,24)(H,20,25)(H,22,23)(H,26,27)/t7-,8-,9-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([C:6]1=[CH:4][N:17]=[CH:5][NH:18]1)[C@@H:9]([C:14](=[O:26])[OH:27])[N:20]=[C:13]([C@H:8]([CH2:3][C:10](=[NH:16])[OH:21])[N:19]=[C:12]([C@H:7]([CH2:2][C:11](=[O:22])[OH:23])[NH2:15])[OH:24])[OH:25] |
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