General Information of the Compound
| Compound ID |
CP0856385
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(4-Amino-3-((S)-2-amino-5-guanidinopentanamido)-benzamido)-3-(1H-indol-3-yl)propanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30N8O4
|
||||||||||||||||||
| Molecular Weight |
494.556
|
||||||||||||||||||
| Canonical SMILES |
N=C(N)NCCC[C@H](N)C(=O)Nc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)ccc1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30N8O4/c25-16-8-7-13(10-19(16)31-22(34)17(26)5-3-9-29-24(27)28)21(33)32-20(23(35)36)11-14-12-30-18-6-2-1-4-15(14)18/h1-2,4,6-8,10,12,17,20,30H,3,5,9,11,25-26H2,(H,31,34)(H,32,33)(H,35,36)(H4,27,28,29)/t17-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
APTWADNFJQRAKY-PXNSSMCTSA-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