Basic information
- Standard SMILES
CCOC(=O)C(Cc1ccc(O)cc1)NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1- InChIKey
MUOYJUKZSKADPN-UHFFFAOYSA-N- Molecular formula
- C22H32N2O6
- Average molar mass
- 420.5 g/mol
Names & identifiers
- Preferred name
- 2-[(1-Tert-butoxycarbonylamino-cyclopentanecarbonyl)-amino]-3-(4-hydroxy-phenyl)-propionic acid ethyl ester
- IUPAC
- ethyl 3-(4-hydroxyphenyl)-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate
Names & synonyms
SCHEMBL7229743MUOYJUKZSKADPN-UHFFFAOYSA-N2-[(1-tert-butoxycarbonylamino-cyclopentanecarbonyl)-amino]-3-(4-hydroxy-phenyl)-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 70027136
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 601
Related reactions
5 records
Compound notes
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