chempirical

N-[(1,1-Dimethylethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine

C27H29NO4SCAS 21947-98-8463.59 g/mol

Open in Covalent MOL file
OOHNSOHO
Carboxylic acidSulfide

Properties

Molecular formula
C27H29NO4S
Molar mass
463.59 g/mol
Exact mass
463.1817 Da
Melting point
76–77 °C
logP
5.89Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
8
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
21947-98-8
SMILES
CC(C)(C)OC(O)=N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIKey
JDTOWOURWBDELG-QHCPKHFHSA-N
InChI
InChI=1S/C27H29NO4S/c1-26(2,3)32-25(31)28-23(24(29)30)19-33-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,28,31)(H,29,30)/t23-/m0/s1

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

Names and synonyms

9 names
  • N-tert-Butoxycarbonyl-S-tritylcysteine
  • L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-(triphenylmethyl)-
  • Alanine, N-carboxy-3-(tritylthio)-, N-tert-butyl ester, L-
  • N-(tert-Butoxycarbonyl)-S-trityl-L-cysteine
  • N-Boc-S-trityl-L-cysteine
  • NSC 129903
  • 2: PN: US20040265921 PAGE: 4 claimed protein
  • 6: PN: WO2015068532 SEQID: 6 claimed sequence
  • (2R)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoic acid

Work with N-[(1,1-Dimethylethoxy)carbonyl]-S-(triphenylmethyl)-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-cysteine5068-28-069 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-966 % similar N-[(1,1-Dimethylethoxy)carbonyl]-S-(9H-fluoren-9-ylmethyl)-L-cysteine84888-35-763 % similar N-[(1,1-Dimethylethoxy)carbonyl]-S-methyl-L-cysteine16947-80-161 % similar N-tert-Butoxycarbonyl-O-benzylserine23680-31-161 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanyl-L-phenylalanine13122-90-260 % similar (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-5-phenyl-4-pentenoic acid261165-04-260 % similar N-[(1,1-Dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)methyl]-L-cysteine18942-46-659 % similar

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

Elsewhere

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