| Properties | Image |
|---|
| MNX_ID | MNXM1121865 |
 |
| reference | chebi:159254 |
| formula | C17H28N8O4 |
| global charge | 0 |
| mol weight | 408.463 |
| InChIKey | STHNZYKCJHWULY-AVGNSLFASA-N |
| InChI | InChI=1S/C17H28N8O4/c18-11(3-1-5-22-17(19)20)15(27)25-6-2-4-13(25)14(26)24-12(16(28)29)7-10-8-21-9-23-10/h8-9,11-13H,1-7,18H2,(H,21,23)(H,24,26)(H,28,29)(H4,19,20,22)/t11-,12-,13-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H28N8O4/c18-11(3-1-5-22-17(19)20)15(27)25-6-2-4-13(25)14(26)24-12(16(28)29)7-10-8-21-9-23-10/h8-9,11-13H,1-7,18H2,(H,21,23)(H,24,26)(H,28,29)(H4,19,20,22)/t11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:3][C@@H:11]([C:15]([N:25]1[CH2:6][CH2:2][CH2:4][C@H:13]1[C:14](=[N:24][C@@H:12]([CH2:7][C:10]1=[CH:8][N:21]=[CH:9][NH:23]1)[C:16](=[O:28])[OH:29])[OH:26])=[O:27])[NH2:18])[CH2:5][NH:22][C:17](=[NH:19])[NH2:20] |
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