| Properties | Image |
|---|
| MNX_ID | MNXM1126491 |
 |
| reference | chebi:163906 |
| formula | C12H23N3O5 |
| global charge | 0 |
| mol weight | 289.332 |
| InChIKey | IMULJHHGAUZZFE-MBLNEYKQSA-N |
| InChI | InChI=1S/C12H23N3O5/c1-4-6(2)10(12(19)20)15-8(17)5-14-11(18)9(13)7(3)16/h6-7,9-10,16H,4-5,13H2,1-3H3,(H,14,18)(H,15,17)(H,19,20)/t6-,7+,9-,10-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)[C@@H](C)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H23N3O5/c1-4-6(2)10(12(19)20)15-8(17)5-14-11(18)9(13)7(3)16/h6-7,9-10,16H,4-5,13H2,1-3H3,(H,14,18)(H,15,17)(H,19,20)/t6-,7+,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][C@H:6]([CH3:2])[C@@H:10]([C:12](=[O:19])[OH:20])[N:15]=[C:8]([CH2:5][N:14]=[C:11]([C@H:9]([C@@H:7]([CH3:3])[OH:16])[NH2:13])[OH:18])[OH:17] |
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