| Properties | Image |
| MNX_ID | MNXM1123173 |
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| reference | chebi:160573 |
| formula | C12H22N4O6 |
| global charge | 0 |
| mol weight | 318.33 |
| InChIKey | PZXPWHFYZXTFBI-YUMQZZPRSA-N |
| InChI | InChI=1S/C12H22N4O6/c13-4-2-1-3-8(12(21)22)16-9(17)6-15-11(20)7(14)5-10(18)19/h7-8H,1-6,13-14H2,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)CNC(=O)[C@@H](N)CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H22N4O6/c13-4-2-1-3-8(12(21)22)16-9(17)6-15-11(20)7(14)5-10(18)19/h7-8H,1-6,13-14H2,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:4][NH2:13])[CH2:3][C@@H:8]([C:12](=[O:21])[OH:22])[N:16]=[C:9]([CH2:6][N:15]=[C:11]([C@H:7]([CH2:5][C:10](=[O:18])[OH:19])[NH2:14])[OH:20])[OH:17] |
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