Fmoc-S-benzyl-L-cysteine

C25H23NO4SCAS 53298-33-2433.52 g/mol

Open in Covalent MOL file
SOOHNHOO
CarbamateCarboxylic acidSulfide

Properties

Molecular formula
C25H23NO4S
Molar mass
433.52 g/mol
Exact mass
433.1348 Da
logP
4.91Crippen estimate
Polar surface area
75.6 Ų
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.

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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

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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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