| Properties | Image |
|---|
| MNX_ID | MNXM1122721 |
 |
| reference | chebi:160115 |
| formula | C11H20N4O6 |
| global charge | 0 |
| mol weight | 304.303 |
| InChIKey | WLVLIYYBPPONRJ-GCJQMDKQSA-N |
| InChI | InChI=1S/C11H20N4O6/c1-4(11(20)21)14-10(19)8(5(2)16)15-9(18)6(12)3-7(13)17/h4-6,8,16H,3,12H2,1-2H3,(H2,13,17)(H,14,19)(H,15,18)(H,20,21)/t4-,5+,6-,8-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H20N4O6/c1-4(11(20)21)14-10(19)8(5(2)16)15-9(18)6(12)3-7(13)17/h4-6,8,16H,3,12H2,1-2H3,(H2,13,17)(H,14,19)(H,15,18)(H,20,21)/t4-,5+,6-,8-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:4]([C:11](=[O:20])[OH:21])[N:14]=[C:10]([C@H:8]([C@@H:5]([CH3:2])[OH:16])[N:15]=[C:9]([C@H:6]([CH2:3][C:7](=[NH:13])[OH:17])[NH2:12])[OH:18])[OH:19] |
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