Basic information
- Standard SMILES
CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1- InChIKey
DYHZYYAJBBDQEX-LIRRHRJNSA-N- Molecular formula
- C22H25N3O7
- Average molar mass
- 443.4 g/mol
- Monoisotopic mass
- 443.16925015
Names & identifiers
- Preferred name
- N-[N-(3-Nitrophenylacetyl)-L-alaninyl]-L-tyrosine Ethyl Ester
- IUPAC
- ethyl (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(3-nitrophenyl)acetyl]amino]propanoyl]amino]propanoate
Names & synonyms
SCHEMBL5966836DYHZYYAJBBDQEX-LIRRHRJNSA-NN-[N-(3-Nitrophenylacetyl)-L-alaninyl]-L-tyrosine Ethyl Ester
Database identifiers
- PubChem CID
- 9824664
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 658
Related reactions
6 records
Compound notes
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