Chemical Components in the PDB

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CF8 : Summary

Code

CF8

One-letter code

X

Molecule name

(~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid

Formula

C20 H16 O2 S

Formal charge

0

Molecular weight

320.405 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)C(S)=Cc1ccccc1Cc2ccc3ccccc3c2
SMILES OpenEye OEToolkits 2.0.6 c1ccc2cc(ccc2c1)Cc3ccccc3C=C(C(=O)O)S
Canonical SMILES CACTVS 3.385 OC(=O)/C(S)=C/c1ccccc1Cc2ccc3ccccc3c2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2cc(ccc2c1)Cc3ccccc3/C=C(/C(=O)O)\S

IUPAC InChI

InChI=1S/C20H16O2S/c21-20(22)19(23)13-18-8-4-3-7-17(18)12-14-9-10-15-5-1-2-6-16(15)11-14/h1-11,13,23H,12H2,(H,21,22)/b19-13-

IUPAC InChI key

LALSQKFPBIDRFB-UYRXBGFRSA-N
CF8

wwPDB Information

Atom count

39 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-11-24

Last modified at

2018-09-28

Status

Released

Obsoleted

Not Assigned