chempirical

Fmoc-lys(boc-cys(trt))-oh

C48H51N3O7SCAS 587854-43-1814.01 g/mol

Open in Covalent MOL file
OOHNSONHOOHNHOO
AmideCarbamateCarboxylic acidSulfide

Properties

Molecular formula
C48H51N3O7S
Molar mass
814.01 g/mol
Exact mass
813.3448 Da
logP
8.88Crippen estimate
Polar surface area
143.1 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
17
Stereocentres
R, Sin 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
587854-43-1
SMILES
CC(C)(C)OC(=O)N[C@@H](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChIKey
DKIRZVVHIJMLBK-COCZKOEFSA-N
InChI
InChI=1S/C48H51N3O7S/c1-47(2,3)58-46(56)51-42(32-59-48(33-19-7-4-8-20-33,34-21-9-5-10-22-34)35-23-11-6-12-24-35)43(52)49-30-18-17-29-41(44(53)54)50-45(55)57-31-40-38-27-15-13-25-36(38)37-26-14-16-28-39(37)40/h4-16,19-28,40-42H,17-18,29-32H2,1-3H3,(H,49,52)(H,50,55)(H,51,56)(H,53,54)/t41-,42-/m0/s1

Weigh it out

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

Work with Fmoc-lys(boc-cys(trt))-oh

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

(2R)-6-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid92122-45-774 % similar N-Boc-N'-fmoc-L-lysine84624-27-173 % similar Fmoc-D-orn(boc)-oh118476-89-470 % similar Boc-orn(fmoc)-oh150828-96-969 % similar N-Fmoc-S-trityl-D-cysteine167015-11-468 % similar Fmoc-homocys(trt)-oh167015-23-866 % similar Fmoc-dab(boc)-oh125238-99-565 % similar Boc-L-2,4-diaminobutyric acid(fmoc)117106-21-564 % similar

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

Elsewhere

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