| Properties | Image |
|---|
| MNX_ID | MNXM1126216 |
 |
| reference | chebi:163630 |
| formula | C13H25N3O5 |
| global charge | 0 |
| mol weight | 303.359 |
| InChIKey | BSNZTJXVDOINSR-JXUBOQSCSA-N |
| InChI | InChI=1S/C13H25N3O5/c1-6(2)5-9(13(20)21)16-11(18)7(3)15-12(19)10(14)8(4)17/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](NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H25N3O5/c1-6(2)5-9(13(20)21)16-11(18)7(3)15-12(19)10(14)8(4)17/h6-10,17H,5,14H2,1-4H3,(H,15,19)(H,16,18)(H,20,21)/t7-,8+,9-,10-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[CH2:5][C@@H:9]([C:13](=[O:20])[OH:21])[N:16]=[C:11]([C@H:7]([CH3:3])[N:15]=[C:12]([C@H:10]([C@@H:8]([CH3:4])[OH:17])[NH2:14])[OH:19])[OH:18] |
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