Chemical Components in the PDB

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XN7 : Summary

Code

XN7

One-letter code

X

Molecule name

N,N~2~-bis(2-hydroxyethyl)glycinamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N,N~2~-bis(2-hydroxyethyl)glycinamide
OpenEye OEToolkits 2.0.7 ~{N}-(2-hydroxyethyl)-2-(2-hydroxyethylamino)ethanamide

Formula

C6 H14 N2 O3

Formal charge

0

Molecular weight

162.187 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(CNCC(NCCO)=O)O
SMILES CACTVS 3.385 OCCNCC(=O)NCCO
SMILES OpenEye OEToolkits 2.0.7 C(CO)NCC(=O)NCCO
Canonical SMILES CACTVS 3.385 OCCNCC(=O)NCCO
Canonical SMILES OpenEye OEToolkits 2.0.7 C(CO)NCC(=O)NCCO

IUPAC InChI

InChI=1S/C6H14N2O3/c9-3-1-7-5-6(11)8-2-4-10/h7,9-10H,1-5H2,(H,8,11)

IUPAC InChI key

IXMVWXRQTPARRA-UHFFFAOYSA-N
XN7

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

2020-12-22

Last modified at

2021-03-12

Status

Released

Obsoleted

Not Assigned