Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(CC(=O)N1Cc2ccccc2C1)CC(=O)N1CCC[C@H]1C#N- InChIKey
OARIFFHEWDGQQX-SFHVURJKSA-N- Molecular formula
- C22H28N4O4
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.21105539
Names & identifiers
- Preferred name
- t-butyl (S)-[2-(cyanopyrrolidin-1-yl)-2-oxoethyl]-[2-(1,3-dihydrois oindol-2-yl)-2-oxoethyl]carbamate
- IUPAC
- tert-butyl N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]carbamate
Names & synonyms
OARIFFHEWDGQQX-SFHVURJKSA-Nt-butyl (S)-[2-(cyanopyrrolidin-1-yl)-2-oxoethyl]-[2-(1,3-dihydrois oindol-2-yl)-2-oxoethyl]carbamate
Database identifiers
- PubChem CID
- 86608409
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 708
Related reactions
2 records
Compound notes
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