3[2-(4-Ethyl-2,3-dioxopiperazine-1-carbonylamino)-2-phenylacetamido]-4-methyl-3-methylthioazetidin-2-one

HCID 20162866
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN1CCN(C(=O)NC(C(=O)NC2(SC)C(=O)NC2C)c2ccccc2)C(=O)C1=O
InChIKey
DIVNKLZIANAYEC-UHFFFAOYSA-N
Molecular formula
C20H25N5O5S
Average molar mass
447.5 g/mol
Monoisotopic mass
447.15764009

Names & identifiers

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

Names & synonyms

SCHEMBL10739061DIVNKLZIANAYEC-UHFFFAOYSA-N3[2-(4-Ethyl-2,3-dioxopiperazine-1-carbonylamino)-2-phenylacetamido]-4-methyl-3-methylthioazetidin-2-one

Database identifiers

PubChem CID
20162866

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
153 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
31

Related reactions

4 records
New reaction record

Linked notes

Loading…