Basic information
- Standard SMILES
C[C@@H](NC(=O)C(=O)[C@H](CCCCNC(=O)N1CCOCC1)NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)c1ccccc1- InChIKey
BSRQMYCWEZBYDT-YWEHKCAJSA-N- Molecular formula
- C33H43FN4O6
- Average molar mass
- 610.7 g/mol
- Monoisotopic mass
- 610.31666327
Names & identifiers
- Preferred name
- [1-(4-Fluorobenzyl)cyclobutyl]methyl(1S)-5-[(4-morpholinylcarbonyl)amino]-1-(oxo{[(1R)-1-phenylethyl]amino}acetyl)pentylcarbamate
- IUPAC
- [1-[(4-fluorophenyl)methyl]cyclobutyl]methyl N-[(3S)-7-(morpholine-4-carbonylamino)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
Names & synonyms
CHEMBL180528SCHEMBL14260215BSRQMYCWEZBYDT-YWEHKCAJSA-NBDBM50152523[(S)-5-[(Morpholine-4-carbonyl)-amino]-1-((R)-1-phenyl-ethylaminooxalyl)-pentyl]-carbamic acid 1-(4-fluoro-benzyl)-cyclobutylmethyl ester[1-(4-Fluorobenzyl)cyclobutyl]methyl(1S)-5-[(4-morpholinylcarbonyl)amino]-1-(oxo{[(1R)-1-phenylethyl]amino}acetyl)pentylcarbamate
Database identifiers
- PubChem CID
- 10129236
- ChEMBL
CHEMBL180528
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 943
Related reactions
1 records
Compound notes
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