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

Obsolete: ON8

Summary
Name:1-[(3~{S})-3-azanyl-4-oxidanylidene-butoxy]guanidine
Formula:C5 H12 N4 O2
Formal charge:0
Formula weight:160.174 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-[(3~{S})-3-azanyl-4-oxidanylidene-butoxy]guanidine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C5H12N4O2/c6-4(3-10)1-2-11-9-5(7)8/h3-4H,1-2,6H2,(H4,7,8,9)/t4-/m0/s1
InChIKeyInChI1.03UPVLEVGRMHPBJM-BYPYZUCNSA-N
SMILES_CANONICALCACTVS3.385N[C@@H](CCONC(N)=N)C=O
SMILESCACTVS3.385N[CH](CCONC(N)=N)C=O
SMILES_CANONICALOpenEye OEToolkits2.0.7[H]/N=C(/N)\NOCC[C@@H](C=O)N
SMILESOpenEye OEToolkits2.0.7C(CONC(=N)N)C(C=O)N

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon