(1,1-dimethyl ethyl) O-(4-ethoxy-4-oxobutyl)-N-[1-(phenylmethyl)-1H-tetrazol-5-yl]-L-tyrosinate
Basic information
- Standard SMILES
CCOC(=O)CCCOc1ccc(C[C@H](Nc2nnnn2Cc2ccccc2)C(=O)OC(C)(C)C)cc1- InChIKey
QAECFTMKVRCMGS-QHCPKHFHSA-N- Molecular formula
- C27H35N5O5
- Average molar mass
- 509.6 g/mol
Names & identifiers
- Preferred name
- (1,1-dimethyl ethyl) O-(4-ethoxy-4-oxobutyl)-N-[1-(phenylmethyl)-1H-tetrazol-5-yl]-L-tyrosinate
- IUPAC
- ethyl 4-[4-[(2S)-2-[(1-benzyltetrazol-5-yl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenoxy]butanoate
Names & synonyms
SCHEMBL6289408QAECFTMKVRCMGS-QHCPKHFHSA-N(1,1-dimethyl ethyl) O-(4-ethoxy-4-oxobutyl)-N-[1-(phenylmethyl)-1H-tetrazol-5-yl]-L-tyrosinate
Database identifiers
- PubChem CID
- 69733478
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 689
Related reactions
2 records
Compound notes
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