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Lanthionine

CAT: 1596-AR-L01175-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAS Number
922-55-4
Synonyms
(2R,2'R) -3,3'-thiobis (2-aminopropanoicacid) ; (R, R) -bis (2-amino-2-carboxyethyl) sulfide; (R) -S- (2-amino-2-carboxyethyl) -L-cysteine; (R, R) -2,6-diamino-4-thiaheptanedioic acid; (R, R) -3,3'-thiobis- (2-aminopropanoic acid)
Molecular Formula
C6H12N2O4S
Molecular Weight
208.24
API Name
Lanthionine

Chemical Information

L-Lanthionine

L-lanthionine is the L-enantiomer of lanthionine. It is a lanthionine, a non-proteinogenic L-alpha-amino acid and a L-alanine derivative. It is a tautomer of a L-lanthionine dizwitterion.

CAS Number922-55-4
PubChem CID98504
IUPAC Name(2R)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylpropanoic acid
Molecular FormulaC6H12N2O4S
Molecular Weight208.24
XLogP-6.3
Topological Polar Surface Area152
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count13
Formal Charge0
Complexity179
SMILES
C([C@@H](C(=O)O)N)SC[C@@H](C(=O)O)N
InChI
InChI=1S/C6H12N2O4S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
InChIKey
DWPCPZJAHOETAG-IMJSIDKUSA-N
Chemical Structure
2D Structure
2D structure of L-Lanthionine
CAS: 922-55-4
CID: 98504
Formula: C6H12N2O4S
MW: 208.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.24
XLogP3-6.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass208.05177804
Monoisotopic Mass208.05177804
Topological Polar Surface Area152 Ų
Heavy Atom Count13
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CRB1001703-011D,6L-Lanthionine vasopressin - (Peptide)
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