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

B5I

Summary
Name:2-propyl-L-norvaline
Formula:C8 H17 N O2
Formal charge:0
Formula weight:159.226 Da
Component type:peptide linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-propyl-L-norvaline
OpenEye OEToolkits2.0.72-azanyl-2-propyl-pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCCC(N)(CCC)C(=O)O
InChIInChI1.06InChI=1S/C8H17NO2/c1-3-5-8(9,6-4-2)7(10)11/h3-6,9H2,1-2H3,(H,10,11)
InChIKeyInChI1.06CZHCGMZJLLOYJW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCC(N)(CCC)C(O)=O
SMILESCACTVS3.385CCCC(N)(CCC)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCC(CCC)(C(=O)O)N
SMILESOpenEye OEToolkits2.0.7CCCC(CCC)(C(=O)O)N

227344

PDB entries from 2024-11-13

PDB statisticsPDBj update infoContact PDBjnumon