Basic information
- Standard SMILES
CCc1cccc(C2(NC[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)CCCC(=O)O)CC2)c1- InChIKey
ZBHFIZJNNVTRCS-XZOQPEGZSA-N- Molecular formula
- C26H32F2N2O4
- Average molar mass
- 474.5 g/mol
Names & identifiers
- Preferred name
- 5-[((1S,2R)-1-(3,5-difluorobenzyl)-3-{[1-(3-ethylphenyl)cyclopropyl]amino}-2-hydroxypropyl)amino]-5-oxopentanoic Acid
- IUPAC
- 5-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[[1-(3-ethylphenyl)cyclopropyl]amino]-3-hydroxybutan-2-yl]amino]-5-oxopentanoic acid
Names & synonyms
SCHEMBL3350146ZBHFIZJNNVTRCS-XZOQPEGZSA-N5-[((1S,2R)-1-(3,5-difluorobenzyl)-3-{[1-(3-ethylphenyl)cyclopropyl]amino}-2-hydroxypropyl)amino]-5-oxopentanoic Acid
Database identifiers
- PubChem CID
- 57512657
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 665
Related reactions
6 records
Compound notes
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