Basic information
- CAS
147529-77-9- Standard SMILES
CC(=O)SCCNC(=O)[C@@H](N)CO.O=C(O)C(F)(F)F- InChIKey
YECUNYJYZZHQER-RGMNGODLSA-N- Molecular formula
- C9H15F3N2O5S
- Average molar mass
- 320.29 g/mol
- Monoisotopic mass
- 320.06537724
Names & identifiers
- Preferred name
- ethanethioic acid, s-(2-((2-amino-3-hydroxy-1-oxopropyl)amino)ethyl) ester, (s)-, mono(trifluoroacetate) (salt)
- IUPAC
- S-[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]ethyl] ethanethioate;2,2,2-trifluoroacetic acid
- English name
- N-Serinyl-S-acetylcysteamine trifluoroacetate
- Molecular weight
- 0
Names & synonyms
N-Serinyl-S-acetylcysteamine trifluoroacetate147529-77-9Ethanethioic acid, S-(2-((2-amino-3-hydroxy-1-oxopropyl)amino)ethyl) ester, (S)-, mono(trifluoroacetate) (salt)DTXSID90163739RefChem:340227DTXCID8086230S-[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]ethyl] ethanethioate;2,2,2-trifluoroacetic acidTrifluoroacetic acid--S-[2-(L-serylamino)ethyl] ethanethioate (1/1)
Database identifiers
- CAS
147529-77-9- PubChem CID
- 3073240
- DTXSID
DTXSID90163739
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 270
Chemistry & industry
Suppliers1 total
江苏洪珉药业有限公司18221292452 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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