chempirical

Dl-alanyl-dl-methionine

C8H16N2O3SCAS 1999-43-5220.29 g/mol

Open in Covalent MOL file
SNHONH2OOH
Carboxylic acidPrimary amineSulfide

Properties

Molecular formula
C8H16N2O3S
Molar mass
220.29 g/mol
Exact mass
220.0882 Da
logP
0.50Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6

Identifiers

CAS number
1999-43-5
SMILES
CSCCC(N=C(O)C(C)N)C(=O)O
InChIKey
FSHURBQASBLAPO-UHFFFAOYSA-N
InChI
InChI=1S/C8H16N2O3S/c1-5(9)7(11)10-6(8(12)13)3-4-14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

10 names
  • Methionine, alanyl-
  • Methionine, N-DL-alanyl-, DL-
  • DL-Methionine, N-DL-alanyl-
  • Alanylmethionine
  • DL-α-Alanyl-DL-methionine
  • NSC 118370
  • 2-(2-Aminopropanamido)-4-(methylsulfanyl)butanoic acid
  • 2-(2-Azaniumylpropanoylamino)-4-methylsulfanylbutanoate
  • 2-(2-Amino-propionylamino)-4-methylsulfanyl-butyric acid
  • 2-(2-Aminopropanamido)-4-(methylthio)butanoic acid

Work with Dl-alanyl-dl-methionine

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

Alanyl-glutamine39537-23-062 % similar Dl-alanyl-dl-leucine1999-42-462 % similar L-Alanyl-L-leucine3303-34-262 % similar N-Acetylmethionine1115-47-560 % similar N-Acetyl-D-methionine1509-92-860 % similar N-Acetyl-L-methionine65-82-760 % similar Alanylphenylalanine1999-45-754 % similar L-Alanyl-L-phenylalanine3061-90-354 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook