chempirical

N-tert-Butoxycarbonyl-S-benzyl-L-cysteine

C15H21NO4SCAS 5068-28-0311.40 g/mol

Open in Covalent MOL file
OONHSOHO
Carboxylic acidSulfide

Properties

Molecular formula
C15H21NO4S
Molar mass
311.40 g/mol
Exact mass
311.1191 Da
Melting point
86–87 °C
logP
3.10Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
5068-28-0
SMILES
CC(C)(C)OC(O)=N[C@@H](CSCc1ccccc1)C(=O)O
InChIKey
IFVORPLRHYROAA-LBPRGKRZSA-N
InChI
InChI=1S/C15H21NO4S/c1-15(2,3)20-14(19)16-12(13(17)18)10-21-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-(phenylmethyl)-
  • Alanine, 3-(benzylthio)-N-carboxy-, N-tert-butyl ester, L-
  • Alanine, 3-(benzylthio)-N-carboxy-, N-tert-butyl ester
  • N-[(1,1-Dimethylethoxy)carbonyl]-S-(phenylmethyl)-L-cysteine
  • N-tert-Butyloxycarbonyl-S-benzyl-L-cysteine
  • N-tert-Butoxycarbonyl-S-benzylcysteine
  • NSC 164041
  • (2R)-3-Benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
  • (R)-3-(Benzylthio)-2-((tert-butoxycarbonyl)amino)propanoic acid

Work with N-tert-Butoxycarbonyl-S-benzyl-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-[(4-methoxyphenyl)methyl]-L-cysteine18942-46-677 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-973 % similar N-[(Phenylmethoxy)carbonyl]-S-(phenylmethyl)-L-cysteine3257-18-970 % similar N-[(1,1-Dimethylethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine21947-98-869 % similar N-[(1,1-Dimethylethoxy)carbonyl]-S-(9H-fluoren-9-ylmethyl)-L-cysteine84888-35-769 % similar N-tert-Butoxycarbonyl-O-benzylserine23680-31-167 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanyl-L-phenylalanine13122-90-266 % similar Benzylmercapturic acid19542-77-964 % similar

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

Same formula

Boc-D-cys(bzl)-oh102830-49-9

Elsewhere

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