| Properties | Image |
| MNX_ID | MNXM1125976 |
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| reference | chebi:163390 |
| formula | C16H29N3O6 |
| global charge | 0 |
| mol weight | 359.423 |
| InChIKey | VIPDPMHGICREIS-GVXVVHGQSA-N |
| InChI | InChI=1S/C16H29N3O6/c1-8(2)7-11(16(24)25)18-15(23)13(9(3)4)19-14(22)10(17)5-6-12(20)21/h8-11,13H,5-7,17H2,1-4H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t10-,11-,13-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H29N3O6/c1-8(2)7-11(16(24)25)18-15(23)13(9(3)4)19-14(22)10(17)5-6-12(20)21/h8-11,13H,5-7,17H2,1-4H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t10-,11-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[CH2:7][C@@H:11]([C:16](=[O:24])[OH:25])[N:18]=[C:15]([C@H:13]([CH:9]([CH3:3])[CH3:4])[N:19]=[C:14]([C@H:10]([CH2:5][CH2:6][C:12](=[O:20])[OH:21])[NH2:17])[OH:22])[OH:23] |
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