S-(Acetamidomethyl)-L-cysteine hydrochloride

C₆H₁₃ClN₂O₃SCAS 28798-28-9228.69 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Sulfide

Properties

Molecular formula: C₆H₁₃ClN₂O₃S
Molar mass: 228.69 g/mol
Exact mass: 228.0335 Da
logP: 0.49Crippen estimate
Polar surface area: 95.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

28798-28-9

SMILES

CC(O)=NCSC[C@H](N)C(=O)O.Cl

InChIKey

SZWPOAKLKGUXDD-JEDNCBNOSA-N

InChI

InChI=1S/C6H12N2O3S.ClH/c1-4(9)8-3-12-2-5(7)6(10)11;/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11);1H/t5-;/m0./s1

Weigh it out

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

Names and synonyms

6 names

L-Cysteine, S-[(acetylamino)methyl]-, hydrochloride (1:1)
Alanine, 3-[(acetamidomethyl)thio]-, monohydrochloride, L-
L-Cysteine, S-[(acetylamino)methyl]-, monohydrochloride
S-(Acetamidomethyl)cysteine hydrochloride
NSC 154988
(2R)-2-Amino-3-[(acetamidomethyl)sulfanyl]propanoic acid hydrochloride

Reactions

Thiol protection with the acetamidomethyl group: S-acetamidomethyl-L-cysteine hydrochloride (L-Cysteine, S-[(acetylamino)methyl]-, monohydrochloride)product

Work with S-(Acetamidomethyl)-L-cysteine hydrochloride

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

Dl-lanthionine3183-08-256 % similar Cystine dihydrochloride30925-07-655 % similar L-Cystine, hydrochloride (1:?)34760-60-655 % similar Djenkolic acid498-59-953 % similar Acetyllysine692-04-652 % similar S-Methylcysteine1187-84-451 % similar S-tert-Butyl-L-cysteine hydrochloride2481-09-651 % similar S-[(Acetylamino)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-cysteine19746-37-348 % similar

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

Elsewhere

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