| Properties | Image |
| MNX_ID | MNXM1121266 |
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| reference | chebi:158653 |
| formula | C13H23N3O6 |
| global charge | 0 |
| mol weight | 317.342 |
| InChIKey | YJHKTAMKPGFJCT-NRPADANISA-N |
| InChI | InChI=1S/C13H23N3O6/c1-6(2)10(16-11(19)7(3)14)12(20)15-8(13(21)22)4-5-9(17)18/h6-8,10H,4-5,14H2,1-3H3,(H,15,20)(H,16,19)(H,17,18)(H,21,22)/t7-,8-,10-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H23N3O6/c1-6(2)10(16-11(19)7(3)14)12(20)15-8(13(21)22)4-5-9(17)18/h6-8,10H,4-5,14H2,1-3H3,(H,15,20)(H,16,19)(H,17,18)(H,21,22)/t7-,8-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[C@@H:10]([C:12](=[N:15][C@@H:8]([CH2:4][CH2:5][C:9](=[O:17])[OH:18])[C:13](=[O:21])[OH:22])[OH:20])[N:16]=[C:11]([C@H:7]([CH3:3])[NH2:14])[OH:19] |
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