3-Cyclopropyl-D-alanyl-N-[5-fluoro-2-{1H-1,2,4-triazol-1-yl}benzyl]-L-prolinamide

HCID 58760141
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Basic information

Standard SMILES
N[C@H](CC1CC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(F)ccc1-n1cncn1
InChIKey
UEBQZWCILLPOBJ-AEFFLSMTSA-N
Molecular formula
C20H25FN6O2
Average molar mass
400.4 g/mol
Monoisotopic mass
400.20230222

Names & identifiers

Preferred name
3-Cyclopropyl-D-alanyl-N-[5-fluoro-2-{1H-1,2,4-triazol-1-yl}benzyl]-L-prolinamide
IUPAC
(2S)-1-[(2R)-2-amino-3-cyclopropylpropanoyl]-N-[[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Names & synonyms

SCHEMBL6077720UEBQZWCILLPOBJ-AEFFLSMTSA-N3-Cyclopropyl-D-alanyl-N-[5-fluoro-2-{1H-1,2,4-triazol-1-yl}benzyl]-L-prolinamide

Database identifiers

PubChem CID
58760141

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
106 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
29

Related reactions

1 records
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Compound notes

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