| Properties | Image |
|---|
| MNX_ID | MNXM1121567 |
 |
| reference | chebi:158955 |
| formula | C13H25N3O5 |
| global charge | 0 |
| mol weight | 303.359 |
| InChIKey | XBBKIIGCUMBKCO-JXUBOQSCSA-N |
| InChI | InChI=1S/C13H25N3O5/c1-6(2)5-9(14)12(19)15-7(3)11(18)16-10(8(4)17)13(20)21/h6-10,17H,5,14H2,1-4H3,(H,15,19)(H,16,18)(H,20,21)/t7-,8+,9-,10-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C13H25N3O5/c1-6(2)5-9(14)12(19)15-7(3)11(18)16-10(8(4)17)13(20)21/h6-10,17H,5,14H2,1-4H3,(H,15,19)(H,16,18)(H,20,21)/t7-,8+,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[CH2:5][C@@H:9]([C:12](=[N:15][C@@H:7]([CH3:3])[C:11](=[N:16][C@@H:10]([C@@H:8]([CH3:4])[OH:17])[C:13](=[O:20])[OH:21])[OH:18])[OH:19])[NH2:14] |
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