Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(F)ccc1-n1cncn1- InChIKey
FUIHYCOCAZHIFT-CTNGQTDRSA-N- Molecular formula
- C25H33FN6O4
- Average molar mass
- 500.6 g/mol
- Monoisotopic mass
- 500.25473172
Names & identifiers
- Preferred name
- N-{tert-butoxycarbonyl}-3-cyclopropyl-D-alanyl-N-[5-fluoro-2-{1H-1,2,4-triazol-1-yl}benzyl]-L-prolinamide
- IUPAC
- tert-butyl N-[(2R)-3-cyclopropyl-1-[(2S)-2-[[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
Names & synonyms
SCHEMBL6078507FUIHYCOCAZHIFT-CTNGQTDRSA-NN-{tert-butoxycarbonyl}-3-cyclopropyl-D-alanyl-N-[5-fluoro-2-{1H-1,2,4-triazol-1-yl }benzyl]-L-prolinamideN-{tert-butoxycarbonyl}-3-cyclopropyl-D-alanyl-N-[5-fluoro-2-{1H-1,2,4-triazol-1-yl}benzyl]-L-prolinamide
Database identifiers
- PubChem CID
- 69656183
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 804
Related reactions
2 records
Compound notes
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