| Properties | Image |
| MNX_ID | MNXM1121782 |
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| reference | chebi:159171 |
| formula | C17H31N3O6 |
| global charge | 0 |
| mol weight | 373.45 |
| InChIKey | QVFGXCVIXXBFHO-AVGNSLFASA-N |
| InChI | InChI=1S/C17H31N3O6/c1-9(2)7-11(18)15(23)19-12(5-6-14(21)22)16(24)20-13(17(25)26)8-10(3)4/h9-13H,5-8,18H2,1-4H3,(H,19,23)(H,20,24)(H,21,22)(H,25,26)/t11-,12-,13-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H31N3O6/c1-9(2)7-11(18)15(23)19-12(5-6-14(21)22)16(24)20-13(17(25)26)8-10(3)4/h9-13H,5-8,18H2,1-4H3,(H,19,23)(H,20,24)(H,21,22)(H,25,26)/t11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[CH2:7][C@@H:11]([C:15](=[N:19][C@@H:12]([CH2:5][CH2:6][C:14](=[O:21])[OH:22])[C:16](=[N:20][C@@H:13]([CH2:8][CH:10]([CH3:3])[CH3:4])[C:17](=[O:25])[OH:26])[OH:24])[OH:23])[NH2:18] |
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