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

MS6

Summary
Name:(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol
Formula:C5 H13 N S2
Formal charge:0
Formula weight:151.293 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol
OpenEye OEToolkits2.0.7(2~{S})-2-azanyl-4-methylsulfanyl-butane-1-thiol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(N)(CS)CCSC
InChIInChI1.03InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
InChIKeyInChI1.03NSPBTQHSHXESOT-YFKPBYRVSA-N
SMILES_CANONICALCACTVS3.385CSCC[C@H](N)CS
SMILESCACTVS3.385CSCC[CH](N)CS
SMILES_CANONICALOpenEye OEToolkits2.0.7CSCC[C@@H](CS)N
SMILESOpenEye OEToolkits2.0.7CSCCC(CS)N

217705

건을2024-03-27부터공개중

PDB statisticsPDBj update infoContact PDBjnumon