N-[N-(Phenylacetyl)-L-alaninyl]-Nepsilon-(tert-butoxycarbonyl)-L-lysine Methyl Ester
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Basic information
- Standard SMILES
COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](C)NC(=O)Cc1ccccc1- InChIKey
LOYDMJRWBKBENH-WMZOPIPTSA-N- Molecular formula
- C23H35N3O6
- Average molar mass
- 449.5 g/mol
Names & identifiers
- Preferred name
- N-[N-(Phenylacetyl)-L-alaninyl]-Nepsilon-(tert-butoxycarbonyl)-L-lysine Methyl Ester
- IUPAC
- methyl (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2S)-2-[(2-phenylacetyl)amino]propanoyl]amino]hexanoate
Names & synonyms
SCHEMBL6296982LOYDMJRWBKBENH-WMZOPIPTSA-NN-[N-(Phenylacetyl)-L-alaninyl]-Nepsilon-(tert-butoxycarbonyl)-L-lysine Methyl Ester
Database identifiers
- PubChem CID
- 69734775
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 626
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Related reactions
5 records
Compound notes
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