chempirical

Fmoc-S-methyl-L-cysteine

C19H19NO4SCAS 138021-87-1357.42 g/mol

Open in Covalent MOL file
SOOHNHOO
CarbamateCarboxylic acidSulfide

Properties

Molecular formula
C19H19NO4S
Molar mass
357.42 g/mol
Exact mass
357.1035 Da
logP
3.34Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
138021-87-1
SMILES
CSC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
SKNJDZVHMNQAGO-KRWDZBQOSA-N
InChI
InChI=1S/C19H19NO4S/c1-25-11-17(18(21)22)20-19(23)24-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,20,23)(H,21,22)/t17-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • Fmoc-cys(me)-oh

Work with Fmoc-S-methyl-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-D-cys(tbu)-oh131766-22-875 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-573 % similar Fmoc-D-abu-oh170642-27-073 % similar Fmoc-L-norvaline135112-28-672 % similar (2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid144701-24-672 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-271 % similar N-Fmoc-S-trityl-D-cysteine167015-11-470 % similar Fmoc-dap(fmoc)-oh201473-90-770 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook