5-[((1S,2R)-1-(3,5-difluorobenzyl)-3-{[1-(3-ethylphenyl)cyclopropyl]amino}-2-hydroxypropyl)amino]-5-oxopentanoic Acid

HCID 57512657

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

Related reactions

6 records

Compound notes

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