| Properties | Image |
|---|
| MNX_ID | MNXM1126908 |
 |
| reference | chebi:164325 |
| formula | C16H21N7O6 |
| global charge | 0 |
| mol weight | 407.387 |
| InChIKey | YJBMLTVVVRJNOK-SRVKXCTJSA-N |
| InChI | InChI=1S/C16H21N7O6/c17-10(1-8-4-18-6-20-8)14(26)22-11(3-13(24)25)15(27)23-12(16(28)29)2-9-5-19-7-21-9/h4-7,10-12H,1-3,17H2,(H,18,20)(H,19,21)(H,22,26)(H,23,27)(H,24,25)(H,28,29)/t10-,11-,12-/m0/s1 |
| SMILES | N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H21N7O6/c17-10(1-8-4-18-6-20-8)14(26)22-11(3-13(24)25)15(27)23-12(16(28)29)2-9-5-19-7-21-9/h4-7,10-12H,1-3,17H2,(H,18,20)(H,19,21)(H,22,26)(H,23,27)(H,24,25)(H,28,29)/t10-,11-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([C:8]1=[CH:4][N:18]=[CH:6][NH:20]1)[C@@H:10]([C:14](=[N:22][C@@H:11]([CH2:3][C:13](=[O:24])[OH:25])[C:15](=[N:23][C@@H:12]([CH2:2][C:9]1=[CH:5][N:19]=[CH:7][NH:21]1)[C:16](=[O:28])[OH:29])[OH:27])[OH:26])[NH2:17] |
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