Chemical Components in the PDB

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ZUT : Summary

Code

ZUT

One-letter code

X

Molecule name

4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid

Formula

C20 H16 F N O3

Formal charge

0

Molecular weight

337.344 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)c1ccc(F)cc1Nc2cccc(OCc3ccccc3)c2
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)COc2cccc(c2)Nc3cc(ccc3C(=O)O)F
Canonical SMILES CACTVS 3.385 OC(=O)c1ccc(F)cc1Nc2cccc(OCc3ccccc3)c2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)COc2cccc(c2)Nc3cc(ccc3C(=O)O)F

IUPAC InChI

InChI=1S/C20H16FNO3/c21-15-9-10-18(20(23)24)19(11-15)22-16-7-4-8-17(12-16)25-13-14-5-2-1-3-6-14/h1-12,22H,13H2,(H,23,24)

IUPAC InChI key

SPDQLJLHAQECOP-UHFFFAOYSA-N
ZUT

wwPDB Information

Atom count

41 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-07-05

Last modified at

2023-11-17

Status

Released

Obsoleted

Not Assigned