LF7
2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne
Find entries where: LF7
is present as a standalone ligand in 1 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 2 entries
Chemical Component Summary | |
|---|---|
| Name | 2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne |
| Synonyms | Vildagliptin, bound form |
| Identifiers | 1-[(2S)-2-(iminomethyl)pyrrolidin-1-yl]-2-[[(5R,7S)-3-oxidanyl-1-adamantyl]amino]ethanone |
| Formula | C17 H27 N3 O2 |
| Molecular Weight | 305.415 |
| Type | NON-POLYMER |
| Isomeric SMILES | [H]/N=C/[C@@H]1CCCN1C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O |
| InChI | InChI=1S/C17H27N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h9,12-14,18-19,22H,1-8,10-11H2/b18-9+/t12-,13+,14-,16+,17-/m0/s1 |
| InChIKey | LUWVSODOPBYGON-FEZPVXCISA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 49 |
| Chiral Atom Count | 3 |
| Bond Count | 52 |
| Aromatic Bond Count | 0 |
