Basic information
- Standard SMILES
CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nn1cccc1C(=O)Nc1ccccc1- InChIKey
HTMRDCSJZGAPND-HNNXBMFYSA-N- Molecular formula
- C20H26N4O4
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.19540532
Names & identifiers
- Preferred name
- (S)-tert-Butyl 1-oxo-1-(2-(phenylcarbamoyl)-1H-pyrrol-1-ylamino)butan-2-ylcarbamate
- IUPAC
- tert-butyl N-[(2S)-1-oxo-1-[[2-(phenylcarbamoyl)pyrrol-1-yl]amino]butan-2-yl]carbamate
Names & synonyms
SCHEMBL13505875HTMRDCSJZGAPND-HNNXBMFYSA-N(S)-tert-Butyl 1-oxo-1-(2-(phenylcarbamoyl)-1H-pyrrol-1-ylamino)butan-2-ylcarbamate
Database identifiers
- PubChem CID
- 70922385
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 555
Related reactions
1 records
Compound notes
Loading…