Leupeptazin
AlkaPlorer ID: AK327146
Synonym: None
IUPAC Name: (2S)-2-acetamido-N-[(2S)-1-[[(9S,9aR)-2,4-diamino-7,8,9,9a-tetrahydro-6H-pyrido[1,2-a][1,3,5]triazin-9-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
Structure
SMILES: CC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H]1CCCN2C(=N)NC(=N)N[C@@H]12
InChI: InChI=1S/C21H38N8O3/c1-11(2)9-15(24-13(5)30)18(31)26-16(10-12(3)4)19(32)25-14-7-6-8-29-17(14)27-20(22)28-21(29)23/h11-12,14-17H,6-10H2,1-5H3,(H,24,30)(H,25,32)(H,26,31)(H4,22,23,27,28)/t14-,15-,16-,17+/m0/s1
InChIKey: HARWFBRXTCPOLU-LUKYLMHMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 450.5880000000001
TPSA？: 172.77
MolLogP？: 2.558040000000002
Number of H-Donors: 7
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cathepsin K | Ki | 44000.0 | nM | 10.1016/j.bmcl.2017.02.007 |