BUC

S,S-BUTYLTHIOCYSTEINE

Created:	1999-07-08
Last modified:	2024-09-27

Find Related PDB Entry
2 entries where BUC is found in a polymer sequence

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	0

2D diagram of BUC

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	S,S-BUTYLTHIOCYSTEINE
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-3-butyldisulfanyl-propanoic acid
Formula	C₇ H₁₅ N O₂ S₂
Molecular Weight	209.329
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CSSCCCC
SMILES	CACTVS	3.341	CCCCSSC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCSSCC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	CCCCSSC[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCSSC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C7H15NO2S2/c1-2-3-4-11-12-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
InChIKey	InChI	1.03	XWJGTZVISFJZPH-LURJTMIESA-N

Related Resource References

Resource Name	Reference
PubChem	49866731

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.