Basic information
- CAS
23631-90-5- Standard SMILES
CCC(C)C(NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)O- InChIKey
MKKCVNJPERCQBR-UHFFFAOYSA-N- Molecular formula
- C22H27NO4
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.19400834
Names & identifiers
- Preferred name
- BPOC-L-Isoleucine
- IUPAC
- 3-methyl-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]pentanoic acid
Names & synonyms
BPOC-L-IsoleucineDTXSID6031873923631-90-5RefChem:330200DTXCID50269862NSC334669NSC-334669N-({[2-([1,1'-Biphenyl]-4-yl)propan-2-yl]oxy}carbonyl)isoleucine
Database identifiers
- CAS
23631-90-5- PubChem CID
- 333481
- DTXSID
DTXSID60318739
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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