Chemical Components in the PDB

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UGZ : Summary

Code

UGZ

One-letter code

X

Molecule name

N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-[2-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methylamino]ethyl]methanesulfonamide

Formula

C25 H27 Cl N2 O5 S

Formal charge

0

Molecular weight

503.01 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1cc(ccc1CNCCN[S](C)(=O)=O)c2cccc(c2Cl)c3ccc4OCCOc4c3
SMILES OpenEye OEToolkits 2.0.7 COc1cc(ccc1CNCCNS(=O)(=O)C)c2cccc(c2Cl)c3ccc4c(c3)OCCO4
Canonical SMILES CACTVS 3.385 COc1cc(ccc1CNCCN[S](C)(=O)=O)c2cccc(c2Cl)c3ccc4OCCOc4c3
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1cc(ccc1CNCCNS(=O)(=O)C)c2cccc(c2Cl)c3ccc4c(c3)OCCO4

IUPAC InChI

InChI=1S/C25H27ClN2O5S/c1-31-23-14-17(6-7-19(23)16-27-10-11-28-34(2,29)30)20-4-3-5-21(25(20)26)18-8-9-22-24(15-18)33-13-12-32-22/h3-9,14-15,27-28H,10-13,16H2,1-2H3

IUPAC InChI key

XIYNVYMSOIQZSL-UHFFFAOYSA-N
UGZ

wwPDB Information

Atom count

61 (34 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-02-23

Last modified at

2021-08-06

Status

Released

Obsoleted

Not Assigned