3[2-(4-Ethyl-2,3-dioxopiperazine-1-carbonylamino)-2-phenylacetamido]-3-formamido-4-methylazetidin-2-one

HCID 20162887
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Basic information

Standard SMILES
CCN1CCN(C(=O)NC(C(=O)NC2(NC=O)C(=O)NC2C)c2ccccc2)C(=O)C1=O
InChIKey
VGUNWKVDTGOTDK-UHFFFAOYSA-N
Molecular formula
C20H24N6O6
Average molar mass
444.4 g/mol
Monoisotopic mass
444.17573251

Names & identifiers

Preferred name
3[2-(4-Ethyl-2,3-dioxopiperazine-1-carbonylamino)-2-phenylacetamido]-3-formamido-4-methylazetidin-2-one
IUPAC
4-ethyl-N-[2-[(3-formamido-2-methyl-4-oxoazetidin-3-yl)amino]-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide

Names & synonyms

SCHEMBL10739805VGUNWKVDTGOTDK-UHFFFAOYSA-N3[2-(4-Ethyl-2,3-dioxopiperazine-1-carbonylamino)-2-phenylacetamido]-3-formamido-4-methylazetidin-2-one

Database identifiers

PubChem CID
20162887

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
157 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
32

Related reactions

3 records
New reaction record

Linked notes

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