Chemical Components in the PDB

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XDV : Summary

Code

XDV

One-letter code

X

Molecule name

2-[2-(2-aminoethoxy)ethoxy]acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2-[2-(2-aminoethoxy)ethoxy]acetamide
OpenEye OEToolkits 2.0.7 2-[2-(2-azanylethoxy)ethoxy]ethanamide

Formula

C6 H14 N2 O3

Formal charge

0

Molecular weight

162.187 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NC(COCCOCCN)=O
SMILES CACTVS 3.385 NCCOCCOCC(N)=O
SMILES OpenEye OEToolkits 2.0.7 C(COCCOCC(=O)N)N
Canonical SMILES CACTVS 3.385 NCCOCCOCC(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C(COCCOCC(=O)N)N

IUPAC InChI

InChI=1S/C6H14N2O3/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H2,8,9)

IUPAC InChI key

CDFONQZJZPNQML-UHFFFAOYSA-N
XDV

wwPDB Information

Atom count

25 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-12-11

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned