Basic information
- CAS
317821-69-5- Standard SMILES
CS(=O)(=O)SC[C@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)O- InChIKey
NGQQVLYXKREEOA-HNNXBMFYSA-N- Molecular formula
- C18H17NO6S2
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.04972926
Names & identifiers
- Preferred name
- Benzophenone-4-carboxamidocysteine Methanethiosulfonate
- IUPAC
- (2R)-2-[(4-benzoylbenzoyl)amino]-3-methylsulfonylsulfanylpropanoic acid
- English name
- Benzophenone-4-carboxamidocysteine methanethiosulfonate
- Molecular formula
- C18H17NO6S2
- Molecular weight
- 407.46
Names & synonyms
317821-69-5Benzophenone-4-carboxamidocysteine Methanethiosulfonate(2R)-2-[(4-benzoylbenzoyl)amino]-3-methylsulfonylsulfanylpropanoic acidorb2939382DTXSID50654072TYD-01219HY-W698459AS-86717N-(4-Benzoylbenzoyl)-3-[(methanesulfonyl)sulfanyl]-L-alanineBPCAC-MTSN-(4-Benzoylbenzoyl)-L-cysteine Methanesulfonate (Ester)L-Cysteine, N-(4-benzoylbenzoyl)-, methanesulfonate (ester) (9CI)
Show more names
BPCAC-MTS [Benzophenone-4-carboxamidocysteine methanethiosulfonate
Database identifiers
- CAS
317821-69-5- PubChem CID
- 40418804
- DTXSID
DTXSID50654072
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 643
Physicochemical properties
- Melting point
- 39 · 39-42°C
- storage temp.
- -20 °C · Hygroscopic, Store under Inert atmosphere -20°C Freezer
- solubility
- DMSO, DMF, Methanol
- form
- Solid
- color
- Off White
- Stability
- Moisture Sensitive
Chemistry & industry
Applications
UsesA trifunctional conjugate containing a photo reactive benzophenone group, a carboxylate to enhance solubility, and an MTS function for SH coupling.
Suppliers22 total
陕西星贝爱科生物科技有限责任公司029-13572876172 13572876172 · [email protected]
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凯试（上海）科技有限公司021-50135380 · [email protected]
Xian confluore Biological Technology Co., Ltd.+86-15680926068 · [email protected]
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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