Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

XKV

Summary
Name:(2R)-2-aminobutanamide
Formula:C4 H10 N2 O
Formal charge:0
Formula weight:102.135 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-2-aminobutanamide
OpenEye OEToolkits2.0.7(2~{S})-2-azanylbutanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCC(N)C(N)=O
InChIInChI1.03InChI=1S/C4H10N2O/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H2,6,7)
InChIKeyInChI1.03HNNJFUDLLWOVKZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC[C@H](N)C(N)=O
SMILESCACTVS3.385CC[CH](N)C(N)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC[C@@H](C(=O)N)N
SMILESOpenEye OEToolkits2.0.7CCC(C(=O)N)N

227344

数据于2024-11-13公开中

PDB statisticsPDBj update infoContact PDBjnumon