Basic information
- CAS
179947-95-6- Standard SMILES
CCC(C)(C)c1cc(C(C)c2cc(C(C)(C)CC)cc(C(C)(C)CC)c2OC(=O)CCN(CCN(CCC(=O)Oc2c(C(C)c3cc(C(C)(C)CC)cc(C(C)(C)CC)c3O)cc(C(C)(C)CC)cc2C(C)(C)CC)Cc2ccccc2)Cc2ccccc2)c(O)c(C(C)(C)CC)c1- InChIKey
GBPFZXMZFPDARB-UHFFFAOYSA-N- Molecular formula
- C90H132N2O6
- Average molar mass
- 1,338 g/mol
- Monoisotopic mass
- 1,337.00853993
Names & identifiers
- Preferred name
- I(2)-Alanine, N,Na(2)-1,2-ethanediylbis[N-(phenylmethyl)-, bis[2-[1-[3,5-bis(1,1-dimethylpropyl)-2-hydroxyphenyl]ethyl]-4,6-bis(1,1-dimethylpropyl)phenyl] ester
- IUPAC
- [2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]ethyl]-4,6-bis(2-methylbutan-2-yl)phenyl] 3-[benzyl-[2-[benzyl-[3-[2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]ethyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-3-oxopropyl]amino]ethyl]amino]propanoate
Names & synonyms
DTXSID701100002179947-95-6I(2)-Alanine, N,Na(2)-1,2-ethanediylbis[N-(phenylmethyl)-, bis[2-[1-[3,5-bis(1,1-dimethylpropyl)-2-hydroxyphenyl]ethyl]-4,6-bis(1,1-dimethylpropyl)phenyl] ester
Database identifiers
- CAS
179947-95-6- PubChem CID
- 165366352
- DTXSID
DTXSID701100002
Properties
Computed structural properties
- XLogP
- 27.6
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 37
- Heavy atoms
- 98
- Formal charge
- 0
- Complexity
- 2,210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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