| Properties | Image |
|---|
| MNX_ID | MNXM1122417 |
 |
| reference | chebi:159810 |
| formula | C16H22N8O5 |
| global charge | 0 |
| mol weight | 406.403 |
| InChIKey | ZTRJUKDEALVRMW-SRVKXCTJSA-N |
| InChI | InChI=1S/C16H22N8O5/c17-10(3-13(18)25)14(26)23-11(1-8-4-19-6-21-8)15(27)24-12(16(28)29)2-9-5-20-7-22-9/h4-7,10-12H,1-3,17H2,(H2,18,25)(H,19,21)(H,20,22)(H,23,26)(H,24,27)(H,28,29)/t10-,11-,12-/m0/s1 |
| SMILES | NC(=O)C[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H22N8O5/c17-10(3-13(18)25)14(26)23-11(1-8-4-19-6-21-8)15(27)24-12(16(28)29)2-9-5-20-7-22-9/h4-7,10-12H,1-3,17H2,(H2,18,25)(H,19,21)(H,20,22)(H,23,26)(H,24,27)(H,28,29)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([C:8]1=[CH:4][N:19]=[CH:6][NH:21]1)[C@@H:11]([C:15](=[N:24][C@@H:12]([CH2:2][C:9]1=[CH:5][N:20]=[CH:7][NH:22]1)[C:16](=[O:28])[OH:29])[OH:27])[N:23]=[C:14]([C@H:10]([CH2:3][C:13](=[NH:18])[OH:25])[NH2:17])[OH:26] |
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