| Properties | Image |
|---|
| MNX_ID | MNXM1123506 |
 |
| reference | chebi:160907 |
| formula | C11H19N3O7 |
| global charge | 0 |
| mol weight | 305.287 |
| InChIKey | MNQMTYSEKZHIDF-GCJQMDKQSA-N |
| InChI | InChI=1S/C11H19N3O7/c1-4(11(20)21)13-10(19)8(5(2)15)14-9(18)6(12)3-7(16)17/h4-6,8,15H,3,12H2,1-2H3,(H,13,19)(H,14,18)(H,16,17)(H,20,21)/t4-,5+,6-,8-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H19N3O7/c1-4(11(20)21)13-10(19)8(5(2)15)14-9(18)6(12)3-7(16)17/h4-6,8,15H,3,12H2,1-2H3,(H,13,19)(H,14,18)(H,16,17)(H,20,21)/t4-,5+,6-,8-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:4]([C:11](=[O:20])[OH:21])[N:13]=[C:10]([C@H:8]([C@@H:5]([CH3:2])[OH:15])[N:14]=[C:9]([C@H:6]([CH2:3][C:7](=[O:16])[OH:17])[NH2:12])[OH:18])[OH:19] |
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