Basic information
- Standard SMILES
Cc1cc(-c2ccc(C[C@H](NC(=O)C3(NC(=O)OC(C)(C)C)CCOCC3)C(N)=O)cc2)ccc1C#N- InChIKey
RBZRZOSNSYCXPJ-QHCPKHFHSA-N- Molecular formula
- C28H34N4O5
- Average molar mass
- 506.6 g/mol
- Monoisotopic mass
- 506.2529202
Names & identifiers
- Preferred name
- (S)-tert-Butyl 4-(1-amino-3-(4'-cyano-3'-methylbiphenyl-4-yl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
- IUPAC
- tert-butyl N-[4-[[(2S)-1-amino-3-[4-(4-cyano-3-methylphenyl)phenyl]-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate
Names & synonyms
SCHEMBL2889025RBZRZOSNSYCXPJ-QHCPKHFHSA-N(S)-tert-Butyl 4-(1-amino-3-(4'-cyano-3'-methylbiphenyl-4-yl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
Database identifiers
- PubChem CID
- 59568569
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 862
Related reactions
2 records
Compound notes
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