chempirical

N-Boc-N-methyl-S-trityl-L-cysteine

C28H31NO4SCAS 91292-54-5477.62 g/mol

Open in Covalent MOL file
OONSOHO
CarbamateCarboxylic acidSulfide

Properties

Molecular formula
C28H31NO4S
Molar mass
477.62 g/mol
Exact mass
477.1974 Da
logP
6.03Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 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
91292-54-5
SMILES
CC(C)(C)OC(=O)N(C)[C@@H](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChIKey
IWQYQHAVCMXYML-DEOSSOPVSA-N
InChI
InChI=1S/C28H31NO4S/c1-27(2,3)33-26(32)29(4)24(25(30)31)20-34-28(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24H,20H2,1-4H3,(H,30,31)/t24-/m0/s1

Weigh it out

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Work with N-Boc-N-methyl-S-trityl-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

Boc-N-methyl-L-phenylalanine37553-65-469 % similar N-Boc-N-methyl-D-phenylalanine85466-66-669 % similar Boc-D-N-me-phe DCHA102185-45-559 % similar Boc-N-me-phe DCHA40163-88-059 % similar N-[(1,1-Dimethylethoxy)carbonyl]-N-methyl-O-(phenylmethyl)-L-tyrosine64263-81-659 % similar Boc-MeTyr-OH82038-34-458 % similar N-[(1,1-Dimethylethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine21947-98-858 % similar Boc-S-trityl-D-cysteine87494-13-158 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook