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

MVA

Summary
Name:N-METHYLVALINE
Formula:C6 H13 N O2
Formal charge:0
Formula weight:131.173 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-methyl-L-valine
OpenEye OEToolkits1.7.0(2S)-3-methyl-2-(methylamino)butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(NC)C(C)C
SMILES_CANONICALCACTVS3.370CN[C@@H](C(C)C)C(O)=O
SMILESCACTVS3.370CN[CH](C(C)C)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0CC(C)[C@@H](C(=O)O)NC
SMILESOpenEye OEToolkits1.7.0CC(C)C(C(=O)O)NC
InChIInChI1.03InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1
InChIKeyInChI1.03AKCRVYNORCOYQT-YFKPBYRVSA-N

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon