LigandBoxID:PDB_CMA

NAME:CMA;N2-(CARBOXYETHYL)-L-ARGININE
SMILES: NC(NCCCC(C(=O)O)NCCC(=O)O)=N

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
CMA(PDBeCHEM) CMA(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C9H17N4O4 245.259 -1 6
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 1 2.7891 -5.4835
LOGS LOGP    
-0.6641 -2.7723    

Links to the same SMILES compounds

LIGANDBOX C06655


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