Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

9DK

Summary
Name:3-[2-(1~{H}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid
Formula:C10 H15 N3 O3
Formal charge:0
Formula weight:225.244 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.63-[2-(1~{H}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C10H15N3O3/c1-10(2,9(15)16)8(14)12-4-3-7-5-11-6-13-7/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyInChI1.03OLRNECHDEZIYJP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C(O)=O)C(=O)NCCc1c[nH]cn1
SMILESCACTVS3.385CC(C)(C(O)=O)C(=O)NCCc1c[nH]cn1
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)(C(=O)NCCc1c[nH]cn1)C(=O)O
SMILESOpenEye OEToolkits2.0.6CC(C)(C(=O)NCCc1c[nH]cn1)C(=O)O

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon