| Properties | Image |
|---|
| MNX_ID | MNXM1121258 |
 |
| reference | chebi:158645 |
| formula | C12H22N4O5 |
| global charge | 0 |
| mol weight | 302.331 |
| InChIKey | XSLGWYYNOSUMRM-ZKWXMUAHSA-N |
| InChI | InChI=1S/C12H22N4O5/c1-5(2)9(16-10(18)6(3)13)11(19)15-7(12(20)21)4-8(14)17/h5-7,9H,4,13H2,1-3H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t6-,7-,9-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H22N4O5/c1-5(2)9(16-10(18)6(3)13)11(19)15-7(12(20)21)4-8(14)17/h5-7,9H,4,13H2,1-3H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t6-,7-,9-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:5]([CH3:2])[C@@H:9]([C:11](=[N:15][C@@H:7]([CH2:4][C:8](=[NH:14])[OH:17])[C:12](=[O:20])[OH:21])[OH:19])[N:16]=[C:10]([C@H:6]([CH3:3])[NH2:13])[OH:18] |
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