S-Benzyl-L-cysteine

C₁₀H₁₃NO₂SCAS 3054-01-1211.28 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Sulfide

Properties

Molecular formula: C₁₀H₁₃NO₂S
Molar mass: 211.28 g/mol
Exact mass: 211.0667 Da
Melting point: 215–216 °C
logP: 1.33Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

3054-01-1

SMILES

N[C@@H](CSCc1ccccc1)C(=O)O

InChIKey

GHBAYRBVXCRIHT-VIFPVBQESA-N

InChI

InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all

L-Cysteine, S-(phenylmethyl)-
Alanine, 3-(benzylthio)-, L-
S-(Phenylmethyl)-L-cysteine
S-Benzylcysteine
(R)-S-Benzylcysteine
L-S-Benzylcysteine
3-Benzylthioalanine
(S)-S-Benzylcysteine
NSC 523123
S-Benzyl-(R)-cysteine
(R)-2-Amino-3-(benzylthio)propanoic acid
(2R)-2-Amino-3-(benzylsulfanyl)propanoic acid
(2R)-2-Amino-3-benzylsulfanylpropanoic acid

Work with S-Benzyl-L-cysteine

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

Phenylalanine63-91-264 % similar D-Phenylalanine673-06-364 % similar L-Homophenylalanine943-73-762 % similar Dl-lanthionine3183-08-261 % similar S-Trityl-L-cysteine2799-07-759 % similar (S)-2-Amino-4-phenylbutanoic acid hydrochloride105382-09-057 % similar Djenkolic acid498-59-957 % similar O-(Phenylmethyl)-D-serine10433-52-056 % similar

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

Same formula

2-Amino-4,5,6,7-tetrahydro-benzo[B]thiophene-3-carboxylic acid methyl ester108354-78-5 Ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate4815-29-6

Elsewhere

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