General Information of the Compound
| Compound ID |
CP0413511
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (2S)-2-[[4-amino-3-[[(2S)-2-aminohexanoyl]amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30N4O5
|
||||||||||||||||||
| Molecular Weight |
442.516
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30N4O5/c1-3-4-5-18(25)22(30)26-19-13-15(8-11-17(19)24)21(29)27-20(23(31)32-2)12-14-6-9-16(28)10-7-14/h6-11,13,18,20,28H,3-5,12,24-25H2,1-2H3,(H,26,30)(H,27,29)/t18-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VKHXQOHDIBXTKK-ICSRJNTNSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04212, Endoplasmic reticulum aminopeptidase 1
Protein ID: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase