Structural Complex
Chemical ID: A1JPL
IUPAC Name: (3R)-4-amino-3-thiobutyric acid
Formal Charge: 0
Type: L-peptide linking
Physiochemical Descriptor:
Formula: C4 H9 N O2 S
Molecular weight: 135.185
Hydrogen Bond Acceptor: 4
Hydrogen Bond Donor: 3
Rotatable Bonds: 5
Heavy Atoms: 8
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.7 (3~{R})-4-azanyl-3-sulfanyl-butanoic acid
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/C4H9NO2S/c5-2-3(8)1-4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1
InChIKey InChI 1.06 JXIWMDVDDMAJAI-GSVOUGTGSA-N
SMILES_CANONICAL CACTVS 3.385 NC[C@H](S)CC(O)=O
SMILES CACTVS 3.385 NC[CH](S)CC(O)=O
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 C([C@H](CN)S)C(=O)O
SMILES OpenEye OEToolkits 2.0.7 C(C(CN)S)C(=O)O
Chemical Database Mapping
Database Reference ID
PubChem 10986284
SureChEMBL SCHEMBL8442544
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