| Properties | Image |
|---|
| MNX_ID | MNXM1122235 |
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| reference | chebi:159626 |
| formula | C12H20N4O8 |
| global charge | 0 |
| mol weight | 348.312 |
| InChIKey | XQQVCUIBGYFKDC-OLHMAJIHSA-N |
| InChI | InChI=1S/C12H20N4O8/c1-4(17)9(12(23)24)16-11(22)6(3-8(19)20)15-10(21)5(13)2-7(14)18/h4-6,9,17H,2-3,13H2,1H3,(H2,14,18)(H,15,21)(H,16,22)(H,19,20)(H,23,24)/t4-,5+,6+,9+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H20N4O8/c1-4(17)9(12(23)24)16-11(22)6(3-8(19)20)15-10(21)5(13)2-7(14)18/h4-6,9,17H,2-3,13H2,1H3,(H2,14,18)(H,15,21)(H,16,22)(H,19,20)(H,23,24)/t4-,5+,6+,9+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:4]([C@@H:9]([C:12](=[O:23])[OH:24])[N:16]=[C:11]([C@H:6]([CH2:3][C:8](=[O:19])[OH:20])[N:15]=[C:10]([C@H:5]([CH2:2][C:7](=[NH:14])[OH:18])[NH2:13])[OH:21])[OH:22])[OH:17] |
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