General Information of the Compound
Compound ID
CP0757335
Compound Name
N-acetyl-(S)-leucylglycylglycine
    Show/Hide
Structure
Formula
C12H21N3O5
Molecular Weight
287.316
Canonical SMILES
CC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)O
    Show/Hide
InChI
InChI=1S/C12H21N3O5/c1-7(2)4-9(15-8(3)16)12(20)14-5-10(17)13-6-11(18)19/h7,9H,4-6H2,1-3H3,(H,13,17)(H,14,20)(H,15,16)(H,18,19)/t9-/m0/s1
    Show/Hide
InChIKey
ZGAQOGRHYGDTQR-VIFPVBQESA-N
Physicochemical Property
logP
-1.1458
Rotatable Bonds
8
Heavy Atom Count
20
Polar Areas
124.6
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
20

"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
CID: 44383660
ChEMBL ID
CHEMBL368297
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: PT02659, Peptidyl-glycine alpha-amidating monooxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000506 DMS 53 Homo sapiens (Human)  1
1
Km = 860000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Km = 860000 nM