chempirical

N-[(1,1-Dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)methyl]-L-cysteine

C16H23NO5SCAS 18942-46-6341.42 g/mol

Open in Covalent MOL file
OSHNOOOOH
Carboxylic acidEtherSulfide

Properties

Molecular formula
C16H23NO5S
Molar mass
341.42 g/mol
Exact mass
341.1297 Da
logP
3.11Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
18942-46-6
SMILES
COc1ccc(CSC[C@H](N=C(O)OC(C)(C)C)C(=O)O)cc1
InChIKey
VRTXRNJMNFVTOM-ZDUSSCGKSA-N
InChI
InChI=1S/C16H23NO5S/c1-16(2,3)22-15(20)17-13(14(18)19)10-23-9-11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1

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

Names and synonyms

7 names
  • L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)methyl]-
  • Alanine, N-carboxy-3-[(p-methoxybenzyl)thio]-, N-tert-butyl ester, L-
  • N-(tert-Butoxycarbonyl)-S-(p-methoxybenzyl)-L-cysteine
  • N-(tert-Butyloxycarbonyl)-S-(p-methoxybenzyl)-L-cysteine
  • Nα-(tert-Butoxycarbonyl)-S-(p-methoxybenzyl)-L-cysteine
  • N-(tert-Butoxycarbonyl)-S-(4-methoxybenzyl)cysteine
  • NSC 334312

Work with N-[(1,1-Dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)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

N-tert-Butoxycarbonyl-S-benzyl-L-cysteine5068-28-077 % similar N-[(1,1-Dimethylethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine21947-98-859 % similar N-[(1,1-Dimethylethoxy)carbonyl]-S-(9H-fluoren-9-ylmethyl)-L-cysteine84888-35-758 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-ethyl-L-tyrosine76757-91-058 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-ethyl-D-tyrosine76757-92-158 % similar Boc-L-tyrosine3978-80-157 % similar N-[(1,1-Dimethylethoxy)carbonyl]-S-methyl-L-cysteine16947-80-157 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-D-phenylalanine80102-27-856 % similar

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

Elsewhere

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