Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)N[C@@H](Cc2ccc(I)cc2)C(N)=O)CCOCC1- InChIKey
GHNNPRUUZNXUGI-HNNXBMFYSA-N- Molecular formula
- C20H28IN3O5
- Average molar mass
- 517.4 g/mol
Names & identifiers
- Preferred name
- (S)-tert-Butyl 4-(1-amino-3-(4-iodophenyl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
- IUPAC
- tert-butyl N-[4-[[(2S)-1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate
Names & synonyms
SCHEMBL2893107GHNNPRUUZNXUGI-HNNXBMFYSA-N(S)-tert-Butyl 4-(1-amino-3-(4-iodophenyl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
Database identifiers
- PubChem CID
- 59568595
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 593
Related reactions
18 records
Compound notes
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