| Properties | Image |
| MNX_ID | MNXM1123653 |
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| reference | chebi:161055 |
| formula | C14H23N3O6 |
| global charge | 0 |
| mol weight | 329.353 |
| InChIKey | QPDUWAUSSWGJSB-NGZCFLSTSA-N |
| InChI | InChI=1S/C14H23N3O6/c1-7(2)11(16-12(20)8(15)6-10(18)19)13(21)17-5-3-4-9(17)14(22)23/h7-9,11H,3-6,15H2,1-2H3,(H,16,20)(H,18,19)(H,22,23)/t8-,9+,11-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H23N3O6/c1-7(2)11(16-12(20)8(15)6-10(18)19)13(21)17-5-3-4-9(17)14(22)23/h7-9,11H,3-6,15H2,1-2H3,(H,16,20)(H,18,19)(H,22,23)/t8-,9+,11-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:7]([CH3:2])[C@@H:11]([C:13]([N:17]1[CH2:5][CH2:3][CH2:4][C@@H:9]1[C:14](=[O:22])[OH:23])=[O:21])[N:16]=[C:12]([C@H:8]([CH2:6][C:10](=[O:18])[OH:19])[NH2:15])[OH:20] |
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