Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)N[C@@H](Cc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)C(N)=O)CCOCC1- InChIKey
GPFCAFCHDMIUSZ-QFIPXVFZSA-N- Molecular formula
- C27H35N3O7S
- Average molar mass
- 545.6 g/mol
Names & identifiers
- Preferred name
- (S)-tert-Butyl 4-(1-amino-3-(3'-(methylsulfonyl)biphenyl-4-yl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
- IUPAC
- tert-butyl N-[4-[[(2S)-1-amino-3-[4-(3-methylsulfonylphenyl)phenyl]-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate
Names & synonyms
SCHEMBL7868390GPFCAFCHDMIUSZ-QFIPXVFZSA-N(S)-tert-Butyl 4-(1-amino-3-(3'-(methylsulfonyl)biphenyl-4-yl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
Database identifiers
- PubChem CID
- 59568587
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 943
Related reactions
2 records
Compound notes
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