Basic information
- CAS
78512-39-7- Standard SMILES
CC(C)(C)OC(=O)NC(Cc1cccs1)C(=O)O- InChIKey
OJLISTAWQHSIHL-UHFFFAOYSA-N- Molecular formula
- C12H17NO4S
- Average molar mass
- 271.33 g/mol
- Monoisotopic mass
- 271.0878292
Names & identifiers
- Preferred name
- N-Boc-beta-(2-thienyl)-DL-alanine
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-ylpropanoic acid
- English name
- Boc-beta-(2-thienyl)-DL-Ala-OH
- Molecular formula
- C12H17NO4S
- Molecular weight
- 271.33
Names & synonyms
78512-39-7N-Boc-beta-(2-thienyl)-DL-alanineDTXSID80407674RefChem:363494DTXCID303585262-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acidBOC-BETA-(2-THIENYL)-DL-ALA-OHMFCD00237537Boc-3-(2-Thienyl)-DL-alanine2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-ylpropanoic acid2-{[(tert-butoxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acidBoc-3-DL-Ala(2-thienyl)-OH
Show more names
BOC-DL-THI-OHBOC-DL-ALA(2-THIENYL)-OHBoc-β-(2-thienyl)-DL-Ala-OHBoc-β-(2-thienyl)-DL-alanine
Boc-beta-(2-thienyl)-Ala-OHBoc-beta-(2-thienyl)-DL-alanineSCHEMBL844317Boc-D-3-(2-Thienyl)alanineBoc-L-3-(2-Thienyl)alanineBoc-b-(2-thienyl)-DL-alanineBoc--(2-thienyl)-DL-Ala-OHBoc-b-(2-thienyl)-DL-Ala-OH
Database identifiers
- CAS
78512-39-7- PubChem CID
- 5035100
- DTXSID
DTXSID80407674
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Boiling point
- 431.5 · 431.5±40.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 3.7 · 3.70±0.10(Predicted)
Chemistry & industry
Suppliers17 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [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]
凯试(上海)科技有限公司021-50135380 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Aladdin Scientific[email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
上海宏驹医药科技有限公司18001895509 · [email protected]
Related reactions
6 records
Compound notes
Loading…