| Properties | Image |
|---|
| MNX_ID | MNXM744744 |
 |
| reference | biggM:hislysglu |
| formula | C17H28N6O6 |
| global charge | 0 |
| mol weight | 412.447 |
| InChIKey | JUIOPCXACJLRJK-FRRDWIJNSA-N |
| InChI | InChI=1S/C17H28N6O6/c18-6-2-1-3-12(16(27)23-13(17(28)29)4-5-14(24)25)22-15(26)11(19)7-10-8-20-9-21-10/h8-9,11-13H,1-7,18-19H2,(H,20,21)(H,22,26)(H,23,27)(H,24,25)(H,28,29)/t11-,12+,13-/m1/s1 |
| SMILES | N[C@H](CC1=CNC=N1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](CCC(=O)[O-])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H28N6O6/c18-6-2-1-3-12(16(27)23-13(17(28)29)4-5-14(24)25)22-15(26)11(19)7-10-8-20-9-21-10/h8-9,11-13H,1-7,18-19H2,(H,20,21)(H,22,26)(H,23,27)(H,24,25)(H,28,29)/t11-,12+,13-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:6][NH2:18])[CH2:3][C@@H:12]([C:16](=[N:23][C@H:13]([CH2:4][CH2:5][C:14](=[O:24])[OH:25])[C:17](=[O:28])[OH:29])[OH:27])[N:22]=[C:15]([C@@H:11]([CH2:7][C:10]1=[CH:8][N:20]=[CH:9][NH:21]1)[NH2:19])[OH:26] |
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