| Properties | Image |
| MNX_ID | MNXM1129890 |
 |
| reference | chebi:177941 |
| formula | C11H18N2O6 |
| global charge | 0 |
| mol weight | 274.273 |
| InChIKey | VELZBUAWAUZDLF-WWPIYYJJSA-N |
| InChI | InChI=1S/C11H14N2O4.2H2O/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7;;/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17);2*1H2/t9-;;/m0../s1 |
| SMILES | NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O.O.O |
MNX internals
| InChI (mnx) | InChI=1/C11H14N2O4.2H2O/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7;;/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17);2*1H2/t9-;;/m0../s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:8]([OH:14])=[CH:4][CH:2]=[C:7]1[CH2:5][C@@H:9]([C:11](=[O:16])[OH:17])[N:13]=[C:10]([CH2:6][NH2:12])[OH:15].[OH2:18].[OH2:19] |
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