| Properties | Image |
|---|
| MNX_ID | MNXM1126855 |
 |
| reference | chebi:164272 |
| formula | C14H21N7O6 |
| global charge | 0 |
| mol weight | 383.365 |
| InChIKey | AVQOSMRPITVTRB-CIUDSAMLSA-N |
| InChI | InChI=1S/C14H21N7O6/c15-7(1-6-4-18-5-19-6)12(24)20-8(2-10(16)22)13(25)21-9(14(26)27)3-11(17)23/h4-5,7-9H,1-3,15H2,(H2,16,22)(H2,17,23)(H,18,19)(H,20,24)(H,21,25)(H,26,27)/t7-,8-,9-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H21N7O6/c15-7(1-6-4-18-5-19-6)12(24)20-8(2-10(16)22)13(25)21-9(14(26)27)3-11(17)23/h4-5,7-9H,1-3,15H2,(H2,16,22)(H2,17,23)(H,18,19)(H,20,24)(H,21,25)(H,26,27)/t7-,8-,9-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([C:6]1=[CH:4][N:18]=[CH:5][NH:19]1)[C@@H:7]([C:12](=[N:20][C@@H:8]([CH2:2][C:10](=[NH:16])[OH:22])[C:13](=[N:21][C@@H:9]([CH2:3][C:11](=[NH:17])[OH:23])[C:14](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:15] |
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