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

C28H31NO4SCAS 91292-54-5477.62 g/mol

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OONSOOH
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.

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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

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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

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