Basic information
- Standard SMILES
CCOC(=O)C(CCCC1(c2cccs2)OCCO1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C- InChIKey
MWELASCMNBRKCG-WMEOFMBSSA-N- Molecular formula
- C26H40N2O7S
- Average molar mass
- 524.7 g/mol
- Monoisotopic mass
- 524.25562279
Names & identifiers
- Preferred name
- N-[1-ethoxycarbonyl-5,5-ethylenedioxy-5-(2-thienyl)pentyl]-L-alanyl-L-proline t-butyl ester
- IUPAC
- tert-butyl (2S)-1-[(2S)-2-[[1-ethoxy-1-oxo-5-(2-thiophen-2-yl-1,3-dioxolan-2-yl)pentan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL10778733MWELASCMNBRKCG-WMEOFMBSSA-NN-[1-ethoxycarbonyl-5,5-ethylenedioxy-5-(2-thienyl)pentyl]-L-alanyl-L-proline t-butyl ester
Database identifiers
- PubChem CID
- 54094537
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 766
Related reactions
2 records
Compound notes
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