Basic information
- Standard SMILES
CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(C(=O)OCc1ccccc1)C(C)C- InChIKey
GZPZPZBRCUIQNZ-UHFFFAOYSA-N- Molecular formula
- C50H49N5O3
- Average molar mass
- 768 g/mol
Names & identifiers
- Preferred name
- Benzyl 3-methyl-2-[pentanoyl-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate
- IUPAC
- benzyl 3-methyl-2-[pentanoyl-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate
Names & synonyms
SCHEMBL12894045
Database identifiers
- PubChem CID
- 21840409
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
2 records
Compound notes
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