Basic information
- Standard SMILES
COc1ccc(CSC(CCc2cccc(OC3CCOC3)c2)C(Cc2ccc(NC(=O)OC(C)(C)C)nc2)C(=O)OC(C)(C)C)cc1- InChIKey
AZWLBQNIIYSLRP-UHFFFAOYSA-N- Molecular formula
- C38H50N2O7S
- Average molar mass
- 678.9 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-({6-[(tert-butoxycarbonyl)amino]pyridin-3-yl}methyl)-3-[(4-methoxybenzyl)thio]-5-[3-(tetrahydrofuran-3-yloxy)phenyl]pentanoate
- IUPAC
- tert-butyl 3-[(4-methoxyphenyl)methylsulfanyl]-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]-5-[3-(oxolan-3-yloxy)phenyl]pentanoate
Names & synonyms
SCHEMBL4510636AZWLBQNIIYSLRP-UHFFFAOYSA-Ntert-butyl 2-({6-[(tert-butoxycarbonyl)amino]pyridin-3-yl}methyl)-3-[(4-methoxybenzyl)thio]-5-[3-(tetrahydrofuran-3-yloxy)phenyl]pentanoate
Database identifiers
- PubChem CID
- 69073200
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 18
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 977
Related reactions
1 records
Compound notes
Loading…