| Properties | Image |
|---|
| MNX_ID | MNXM1122719 |
 |
| reference | chebi:160113 |
| formula | C12H22N4O6 |
| global charge | 0 |
| mol weight | 318.33 |
| InChIKey | NCXTYSVDWLAQGZ-ZKWXMUAHSA-N |
| InChI | InChI=1S/C12H22N4O6/c1-5(2)9(12(21)22)16-11(20)7(4-17)15-10(19)6(13)3-8(14)18/h5-7,9,17H,3-4,13H2,1-2H3,(H2,14,18)(H,15,19)(H,16,20)(H,21,22)/t6-,7-,9-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H22N4O6/c1-5(2)9(12(21)22)16-11(20)7(4-17)15-10(19)6(13)3-8(14)18/h5-7,9,17H,3-4,13H2,1-2H3,(H2,14,18)(H,15,19)(H,16,20)(H,21,22)/t6-,7-,9-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:5]([CH3:2])[C@@H:9]([C:12](=[O:21])[OH:22])[N:16]=[C:11]([C@H:7]([CH2:4][OH:17])[N:15]=[C:10]([C@H:6]([CH2:3][C:8](=[NH:14])[OH:18])[NH2:13])[OH:19])[OH:20] |
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