chempirical

S-[(Acetylamino)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-cysteine

C11H20N2O5SCAS 19746-37-3292.35 g/mol

Open in Covalent MOL file
ONHSNHOOOOH
Carboxylic acidSulfide

Properties

Molecular formula
C11H20N2O5S
Molar mass
292.35 g/mol
Exact mass
292.1093 Da
Melting point
110–112 °C
logP
1.84Crippen estimate
Polar surface area
111.7 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
19746-37-3
SMILES
CC(O)=NCSC[C@H](N=C(O)OC(C)(C)C)C(=O)O
InChIKey
HLCTYBOTPCIHTG-QMMMGPOBSA-N
InChI
InChI=1S/C11H20N2O5S/c1-7(14)12-6-19-5-8(9(15)16)13-10(17)18-11(2,3)4/h8H,5-6H2,1-4H3,(H,12,14)(H,13,17)(H,15,16)/t8-/m0/s1

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Names and synonyms

3 names
  • Alanine, 3-[(acetamidomethyl)thio]-N-carboxy-, N-tert-butyl ester, L-
  • N-tert-Butoxycarbonyl-S-(acetamidomethyl)-L-cysteine
  • L-Cysteine, S-[(acetylamino)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-

Work with S-[(Acetylamino)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-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-[(1,1-Dimethylethoxy)carbonyl]-S-methyl-L-cysteine16947-80-164 % similar N-tert-Butoxycarbonyl-S-benzyl-L-cysteine5068-28-059 % similar Boc-L-serine3262-72-457 % similar (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-857 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-serine6368-20-357 % similar S-[(Acetylamino)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-cysteine 4-nitrophenyl ester58651-76-657 % similar S-[(Acetylamino)methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-cysteine86060-81-357 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-serine13734-38-856 % similar

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

Same formula

Color developing agent 425646-77-9

Elsewhere

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