Bbr 2222

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Basic information

CAS: 177313-65-4
Standard SMILES: CCOC(=O)CC(=O)N1CCS[C@H]1COc1ccccc1OC
InChIKey: WSYVIAQNTFPTBI-HNNXBMFYSA-N
Molecular formula: C16H21NO5S
Average molar mass: 339.4 g/mol
Monoisotopic mass: 339.11404394

Names & identifiers

Preferred name: Bbr 2222
IUPAC: ethyl 3-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxopropanoate

Names & synonyms

BBR 2222177313-65-4RefChem:1077774S(-)-MoguisteineEthyl (S)-2-((2-methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoateMoguisteine, (S)-S-(-)-MoguisteineUUZ44P3VDVMOGUISTEINE, (-)-CHEMBL146863SCHEMBL9495477DTXSID501350297

Show more names

3-Thiazolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester, (S)-3-THIAZOLIDINEPROPANOIC ACID, 2-((2-METHOXYPHENOXY)METHYL)-.BETA.-OXO-, ETHYL ESTER, (S)-

Database identifiers

CAS: 177313-65-4
PubChem CID: 219047
DTXSID: DTXSID501350297
ChEMBL: CHEMBL146863
UNII: UUZ44P3VDV
Nikkaji: J556.930C

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 90.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 406

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Compound notes

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