Acetyl-leucyl-isoleucyl-argininal
AlkaPlorer ID: AK040373
Synonym: None
IUPAC Name: (2S,3S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methylpentanamide
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CC(C)C)N=C(C)O)C(O)=N[C@H](C=O)CCCNC(=N)N
InChI: InChI=1S/C20H38N6O4/c1-6-13(4)17(26-18(29)16(10-12(2)3)24-14(5)28)19(30)25-15(11-27)8-7-9-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,30)(H,26,29)(H4,21,22,23)/t13-,15-,16-,17-/m0/s1
InChIKey: FVYMUBVDOSCORG-HJWJTTGWSA-N
Reference
Leupeptins Produced by the Marine<i>Alteromonas</i>sp. B-10–31
PubChem CID: 10365153
LOTUS: LTS0242802
SuperNatural Ⅲ: SN0096991-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Alteromonadaceae | Alteromonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 426.5620000000001
TPSA？: 176.74
MolLogP？: 2.535970000000002
Number of H-Donors: 6
Number of H-Acceptors: 5
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Cathepsin B | IC50 | 150.0 | nM | 10.1021/jm00060a016 |
| Bos taurus | Plasminogen | IC50 | 11000.0 | nM | 10.1021/jm00060a016 |
| Bos taurus | Thrombin | IC50 | 18000.0 | nM | 10.1021/jm00060a016 |
| Bos taurus | Trypsin I | IC50 | 9100.0 | nM | 10.1021/jm00060a016 |
| Homo sapiens | Plasma kallikrein | IC50 | 35000.0 | nM | 10.1021/jm00060a016 |