Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

5ZA

Summary
Name:(5Z)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-5-[(4-AMINO-1H-INDOL-3-YL)METHYLENE]-3-(2-HYDROXYETHYL)-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
Formula:C17 H19 N5 O4
Formal charge:0
Formula weight:357.364 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-amino-1H-indol-3-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
OpenEye OEToolkits1.5.02-[(4Z)-2-[(1R,2R)-1-amino-2-hydroxy-propyl]-4-[(4-amino-1H-indol-3-yl)methylidene]-5-oxo-imidazol-1-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N(C(=N/C1=C\c3c2c(cccc2nc3)N)C(N)C(O)C)CC(=O)O
SMILES_CANONICALCACTVS3.341C[C@@H](O)[C@H](N)C1=N\C(=C/c2c[nH]c3cccc(N)c23)C(=O)N1CC(O)=O
SMILESCACTVS3.341C[CH](O)[CH](N)C1=NC(=Cc2c[nH]c3cccc(N)c23)C(=O)N1CC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H]([C@@H](C1=N/C(=C\c2c[nH]c3c2c(ccc3)N)/C(=O)N1CC(=O)O)N)O
SMILESOpenEye OEToolkits1.5.0CC(C(C1=NC(=Cc2c[nH]c3c2c(ccc3)N)C(=O)N1CC(=O)O)N)O
InChIInChI1.03InChI=1S/C17H19N5O4/c1-8(23)15(19)16-21-12(17(26)22(16)7-13(24)25)5-9-6-20-11-4-2-3-10(18)14(9)11/h2-6,8,15,20,23H,7,18-19H2,1H3,(H,24,25)/b12-5-/t8-,15+/m1/s1
InChIKeyInChI1.03JUWJATLABHTRDF-JURWUIOISA-N

224931

數據於2024-09-11公開中

PDB statisticsPDBj update infoContact PDBjnumon