Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCN(C(=O)OCc2ccccc2)CC1- InChIKey
LYYNLCISWBZBTM-QHCPKHFHSA-N- Molecular formula
- C27H35N3O6
- Average molar mass
- 497.6 g/mol
Names & identifiers
- Preferred name
- 1-Benzyloxycarbonyl-4-(N-tert-butoxycarbonyltyrosyl)homopiperazine
- IUPAC
- benzyl 4-[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-1,4-diazepane-1-carboxylate
Names & synonyms
SCHEMBL9484631LYYNLCISWBZBTM-QHCPKHFHSA-N1-Benzyloxycarbonyl-4-(N-tert-butoxycarbonyltyrosyl)homopiperazine
Database identifiers
- PubChem CID
- 54059934
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 726
Related reactions
3 records
Compound notes
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