Basic information
- CAS
102830-49-9- Standard SMILES
CC(C)(C)OC(=O)N[C@H](CSCc1ccccc1)C(=O)O- InChIKey
IFVORPLRHYROAA-GFCCVEGCSA-N- Molecular formula
- C15H21NO4S
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.11912932
Overview
a widely used, commercially available protected form of S-benzylcysteine
Names & identifiers
- Preferred name
- N-tert-Butyloxycarbonyl-S-benzylcysteine
- IUPAC
- (2S)-3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- English name
- Boc-D-Cys(Bzl)-OH
- Molecular formula
- C15H21NO4S
- Molecular weight
- 311.4
Names & synonyms
N-t-Boc-S-benzyl-L-cysteineN-tert-Butyloxycarbonyl-S-benzylcysteineRefChem:164250N-Boc-S-benzyl-D-cysteineBoc-D-Cys(Bzl)-OH102830-49-9Boc-S-benzyl-D-cysteineMFCD00038253(2S)-3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acids-benzyl-n-(tert-butoxycarbonyl)-d-cysteineBoc-(S)-benzyl-D-CysZXQ87WZ7UX
Show more names
BOC-D-CYSTEINE(BZL)-OHN-Boc-S-benzyl-D-cysteine, 97%Boc-S-benzyl-D-cysteine≥ 99% (HPLC)(Tert-Butoxy)Carbonyl D-Cys(Bzl)-OHN-ALPHA-T-BUTOXYCARBONYL-S-D-CYSTEINEN-tert-Butoxycarbonyl-S-benzyl-D-cysteine
Alanine, 3-(benzylthio)-N-carboxy-, N-tert-butyl ester, L-N-((1,1-Dimethylethoxy)carbonyl)-S(phenylmethyl)-L-cysteineSCHEMBL3582418N-alpha-t-Boc-S-benzyl-L-cysteineEINECS 225-772-8s-benzyl-n-(tert-butoxycarbonyl)-d-AKOS015836473AKOS015888716
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Melting point
- 64 · 64-65℃
- Boiling point
- 481.2 · 481.2±45.0 °C(Predicted)
- Density
- 1.201 · 1.201±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Solid
- pka
- 3.58 · 3.58±0.10(Predicted)
- color
- White to off-white
- CAS DataBase Reference
- 102830 · 102830-49-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesN-Boc-S-benzyl-D-cysteine is a cysteine derivative[1].
Suppliers55 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
成都傲飞生物化学品有限责任公司+86-028-60911900 13540204019 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
凯试(上海)科技有限公司021-50135380 · [email protected]
Xiamen AmoyChem Co., Ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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