| Properties | Image |
|---|
| MNX_ID | MNXM1121428 |
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| reference | chebi:158816 |
| formula | C16H26N8O6 |
| global charge | 0 |
| mol weight | 426.434 |
| InChIKey | YFBGNGASPGRWEM-DCAQKATOSA-N |
| InChI | InChI=1S/C16H26N8O6/c17-9(2-1-3-21-16(18)19)13(27)23-10(5-12(25)26)14(28)24-11(15(29)30)4-8-6-20-7-22-8/h6-7,9-11H,1-5,17H2,(H,20,22)(H,23,27)(H,24,28)(H,25,26)(H,29,30)(H4,18,19,21)/t9-,10-,11-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](N)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/C16H26N8O6/c17-9(2-1-3-21-16(18)19)13(27)23-10(5-12(25)26)14(28)24-11(15(29)30)4-8-6-20-7-22-8/h6-7,9-11H,1-5,17H2,(H,20,22)(H,23,27)(H,24,28)(H,25,26)(H,29,30)(H4,18,19,21)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:9]([C:13](=[N:23][C@@H:10]([CH2:5][C:12](=[O:25])[OH:26])[C:14](=[N:24][C@@H:11]([CH2:4][C:8]1=[CH:6][N:20]=[CH:7][NH:22]1)[C:15](=[O:29])[OH:30])[OH:28])[OH:27])[NH2:17])[CH2:3][NH:21][C:16](=[NH:18])[NH2:19] |
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