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2-Formamido-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid

HCID 13340696
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C(Cc1ccccc1)NC(=O)CC(NC=O)C(=O)O
InChIKey
ZEBUKQKZQCTVEU-UHFFFAOYSA-N
Molecular formula
C15H18N2O6
Average molar mass
322.31 g/mol

Names & identifiers

Preferred name
2-Formamido-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid
IUPAC
2-formamido-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid

Names & synonyms

SCHEMBL7049736

Database identifiers

PubChem CID
13340696

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
122 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
23
Formal charge
0
Complexity
434

Related reactions

1 records
New reaction record
HRID 291342 reaction equation
HRID 291342As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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