| Properties | Image |
| MNX_ID | MNXM1123536 |
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| reference | chebi:160937 |
| formula | C11H19N3O8 |
| global charge | 0 |
| mol weight | 321.286 |
| InChIKey | GCACQYDBDHRVGE-LKXGYXEUSA-N |
| InChI | InChI=1S/C11H19N3O8/c1-4(16)8(10(20)13-6(3-15)11(21)22)14-9(19)5(12)2-7(17)18/h4-6,8,15-16H,2-3,12H2,1H3,(H,13,20)(H,14,19)(H,17,18)(H,21,22)/t4-,5+,6+,8+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H19N3O8/c1-4(16)8(10(20)13-6(3-15)11(21)22)14-9(19)5(12)2-7(17)18/h4-6,8,15-16H,2-3,12H2,1H3,(H,13,20)(H,14,19)(H,17,18)(H,21,22)/t4-,5+,6+,8+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:4]([C@@H:8]([C:10](=[N:13][C@@H:6]([CH2:3][OH:15])[C:11](=[O:21])[OH:22])[OH:20])[N:14]=[C:9]([C@H:5]([CH2:2][C:7](=[O:17])[OH:18])[NH2:12])[OH:19])[OH:16] |
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