Chemical Components in the PDB

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UZ3 : Summary

Code

UZ3

One-letter code

X

Molecule name

2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide

Formula

C15 H13 Cl2 N3 O3

Formal charge

0

Molecular weight

354.188 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc(C(N)=O)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1
SMILES OpenEye OEToolkits 2.0.7 COc1ccc(c(c1)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(=O)N
Canonical SMILES CACTVS 3.385 COc1ccc(C(N)=O)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc(c(c1)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(=O)N

IUPAC InChI

InChI=1S/C15H13Cl2N3O3/c1-23-11-2-3-12(14(18)21)13(7-11)20-15(22)19-10-5-8(16)4-9(17)6-10/h2-7H,1H3,(H2,18,21)(H2,19,20,22)

IUPAC InChI key

LGINOCHKOLUZAO-UHFFFAOYSA-N
UZ3

wwPDB Information

Atom count

36 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-02-15

Last modified at

2024-02-23

Status

Released

Obsoleted

Not Assigned