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3-[(1-Benzyl-5-oxopyrrolidine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoic acid

HCID 66645008
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C(O)C(Cc1ccccc1)NC(=O)C1CCC(=O)N1Cc1ccccc1
InChIKey
PFSRSIOGRQAHHX-UHFFFAOYSA-N
Molecular formula
C22H24N2O5
Average molar mass
396.4 g/mol

Names & identifiers

Preferred name
3-[(1-Benzyl-5-oxopyrrolidine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoic acid
IUPAC
3-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoic acid

Names & synonyms

SCHEMBL289677

Database identifiers

PubChem CID
66645008

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
107 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
29
Formal charge
0
Complexity
584

Related reactions

5 records
New reaction record
HRID 107576 reaction equation
HRID 107576As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 138561 reaction equation
HRID 138561As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 188173 reaction equation
HRID 188173As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 677653 reaction equation
HRID 677653As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1569014 reaction equation
HRID 1569014As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes