Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

UGD : Summary

Code

UGD

One-letter code

X

Molecule name

N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
OpenEye OEToolkits 2.0.7 ~{N}-[3-[(2~{R})-4-oxidanylideneazetidin-2-yl]oxyphenyl]-2-pyrimidin-5-yl-ethanamide

Formula

C15 H14 N4 O3

Formal charge

0

Molecular weight

298.297 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1cncc(c1)CC(Nc3cccc(OC2NC(C2)=O)c3)=O
SMILES CACTVS 3.385 O=C1C[CH](N1)Oc2cccc(NC(=O)Cc3cncnc3)c2
SMILES OpenEye OEToolkits 2.0.7 c1cc(cc(c1)OC2CC(=O)N2)NC(=O)Cc3cncnc3
Canonical SMILES CACTVS 3.385 O=C1C[C@H](N1)Oc2cccc(NC(=O)Cc3cncnc3)c2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(cc(c1)O[C@@H]2CC(=O)N2)NC(=O)Cc3cncnc3

IUPAC InChI

InChI=1S/C15H14N4O3/c20-13(4-10-7-16-9-17-8-10)18-11-2-1-3-12(5-11)22-15-6-14(21)19-15/h1-3,5,7-9,15H,4,6H2,(H,18,20)(H,19,21)/t15-/m1/s1

IUPAC InChI key

SGVQMOZIVBYLOT-OAHLLOKOSA-N
UGD

wwPDB Information

Atom count

36 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-05-18

Last modified at

2020-05-22

Status

Released

Obsoleted

Not Assigned