Basic information
- CAS
865874-86-8- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1cnc(C2CCCCC2)[nH]1)C(=O)N1CCC[C@H]1C(N)=O- InChIKey
JKEJIEJRMFGPAK-IRXDYDNUSA-N- Molecular formula
- C22H35N5O4
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.26890461
Names & identifiers
- Preferred name
- L-Prolinamide, 2-cyclohexyl-N-[(1,1-dimethylethoxy)carbonyl]-L-histidyl-
- IUPAC
- tert-butyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(2-cyclohexyl-1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
Names & synonyms
L-Prolinamide, 2-cyclohexyl-N-[(1,1-dimethylethoxy)carbonyl]-L-histidyl-865874-86-8DTXSID30470217N-(tert-Butoxycarbonyl)-2-cyclohexyl-L-histidyl-L-prolinamide
Database identifiers
- CAS
865874-86-8- PubChem CID
- 11662002
- DTXSID
DTXSID30470217
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 659
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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