Basic information
- CAS
82560-33-6- Standard SMILES
CCOC(=O)CN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(=O)CC- InChIKey
MICQOQFCKSYYML-UHFFFAOYSA-N- Molecular formula
- C19H26N2O6S
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.15115755
Names & identifiers
- Preferred name
- Glycine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(1-oxopropyl)-, ethyl ester
- IUPAC
- ethyl 2-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propanoylamino]acetate
Names & synonyms
82560-33-6Glycine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(1-oxopropyl)-, ethyl esterDTXSID50231842RefChem:346333DTXCID80154333SCHEMBL11201457MICQOQFCKSYYML-UHFFFAOYSA-N2,3-dihydro-2,2-dimethylbenzofuran-7-yl N-(N-propionyl-N-ethoxycarbonylmethylaminosulfenyl)-N-methyl-carbamateEthyl N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}-N-propanoylglycinate
Database identifiers
- CAS
82560-33-6- PubChem CID
- 3067962
- DTXSID
DTXSID50231842
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 585
Related reactions
2 records
Compound notes
Loading…