chempirical

Dl-lanthionine

C6H12N2O4SCAS 3183-08-2208.23 g/mol

Open in Covalent MOL file
NH2SNH2OOHOHO
Carboxylic acidPrimary amineSulfide

Properties

Molecular formula
C6H12N2O4S
Molar mass
208.23 g/mol
Exact mass
208.0518 Da
logP
-1.46Crippen estimate
Polar surface area
126.6 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
6
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
3183-08-2
SMILES
N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O
InChIKey
DWPCPZJAHOETAG-SEFKMRKONA-N
InChI
InChI=1/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-/s2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • D-Cysteine, S-[(2S)-2-amino-2-carboxyethyl]-, rel-
  • Alanine, 3,3′-thiodi-, DL-
  • DL-Cysteine, S-(2-amino-2-carboxyethyl)-
  • Cysteine, S-(2-amino-2-carboxyethyl)-
  • Rel-S-[(2S)-2-Amino-2-carboxyethyl]-D-cysteine

Work with Dl-lanthionine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Djenkolic acid498-59-983 % similar D-Cystine349-46-275 % similar Cystine923-32-075 % similar S-(Carboxymethyl)cysteine2387-59-971 % similar Carbocisteine638-23-371 % similar S-Methylcysteine1187-84-467 % similar Fudosteine13189-98-567 % similar S-Allylcysteine21593-77-167 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook