Tyropeptin A
AlkaPlorer ID: AK041872
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-3-methylbutanamide
Structure
SMILES: CC(C)CC(O)=N[C@@H](CC1=CC=C(O)C=C1)C(O)=N[C@H](C(O)=NC(C=O)CC1=CC=C(O)C=C1)C(C)C
InChI: InChI=1S/C28H37N3O6/c1-17(2)13-25(35)30-24(15-20-7-11-23(34)12-8-20)27(36)31-26(18(3)4)28(37)29-21(16-32)14-19-5-9-22(33)10-6-19/h5-12,16-18,21,24,26,33-34H,13-15H2,1-4H3,(H,29,37)(H,30,35)(H,31,36)/t21?,24-,26-/m0/s1
InChIKey: OSMJFYFZOAVCNP-KLZDYHPHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kitasatospora sp. | Kitasatospora | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 511.61900000000026
TPSA？: 155.3
MolLogP？: 4.759300000000004
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 20S proteasome | IC50 | 140.0 | nM | 10.1016/j.bmcl.2005.02.013 |
| Homo sapiens | 20S proteasome | IC50 | 5000.0 | nM | 10.1016/j.bmcl.2005.02.013 |
| Homo sapiens | 20S proteasome | IC50 | 68000.0 | nM | 10.1016/j.bmcl.2005.02.013 |