chempirical

Cystine dimethyl ester dihydrochloride

C8H18Cl2N2O4S2CAS 32854-09-4341.26 g/mol

Open in Covalent MOL file
OONH2SSNH2OOHClHCl
DisulfideEsterPrimary amine

Properties

Molecular formula
C8H18Cl2N2O4S2
Molar mass
341.26 g/mol
Exact mass
340.0085 Da
logP
0.21Crippen estimate
Polar surface area
104.6 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
7
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
32854-09-4
SMILES
COC(=O)[C@@H](N)CSSC[C@H](N)C(=O)OC.Cl.Cl
InChIKey
QKWGUPFPCRKKMQ-USPAICOZSA-N
InChI
InChI=1S/C8H16N2O4S2.2ClH/c1-13-7(11)5(9)3-15-16-4-6(10)8(12)14-2;;/h5-6H,3-4,9-10H2,1-2H3;2*1H/t5-,6-;;/m0../s1

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

Names and synonyms

5 names
  • L-Cystine, 1,1′-dimethyl ester, hydrochloride (1:2)
  • L-Cystine, dimethyl ester, dihydrochloride
  • Cystine, dimethyl ester, dihydrochloride, L-
  • NSC 161614
  • L-Cystine dihydrochloride methyl ester

Work with Cystine dimethyl ester dihydrochloride

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

3-Chloro-D-alanine methyl ester,hydrochloride112346-82-464 % similar Methyl cysteinate hydrochloride18598-63-564 % similar Methyl 2-amino-3-hydroxypropionate hydrochloride5619-04-564 % similar Serine methyl ester hydrochloride5680-80-864 % similar Methyl D-serinate hydrochloride5874-57-764 % similar Methionine methyl ester hydrochloride2491-18-163 % similar Dimethyl aspartate hydrochloride32213-95-962 % similar Leucine methyl ester hydrochloride7517-19-362 % similar

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

Elsewhere

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