Fmoc-S-benzyl-L-cysteine

C₂₅H₂₃NO₄SCAS 53298-33-2433.52 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Sulfide

Properties

Molecular formula: C₂₅H₂₃NO₄S
Molar mass: 433.52 g/mol
Exact mass: 433.1348 Da
logP: 4.91Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 8
Stereocentres: Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

53298-33-2

SMILES

C1=CC=C(C=C1)CSC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

AKXYVGAAQGLAMD-QHCPKHFHSA-N

InChI

InChI=1S/C25H23NO4S/c27-24(28)23(16-31-15-17-8-2-1-3-9-17)26-25(29)30-14-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,29)(H,27,28)/t23-/m0/s1

Weigh it out

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Names and synonyms

1 names

Fmoc-cys(bzl)-oh

Work with Fmoc-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

Fmoc-cys(4-mbzl)-oh136050-67-483 % similar N-Fmoc-S-(4-methoxybenzyl)-L-cysteine141892-41-380 % similar Fmoc-phe-oh286460-71-775 % similar Fmoc-D-phenylalanine86123-10-675 % similar Fmoc-L-homophenylalanine132684-59-473 % similar Fmoc-D-homophenylalanine135944-09-173 % similar Fmoc-D-homophenylalanine135994-09-173 % similar Fmoc-S-methyl-L-cysteine138021-87-172 % similar

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

Elsewhere

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