Chemical Components in the PDB

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R6T : Summary

Code

R6T

One-letter code

X

Molecule name

9-oxo-9H-fluorene-4-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 9-oxo-9H-fluorene-4-carboxamide
OpenEye OEToolkits 2.0.7 9-oxidanylidenefluorene-4-carboxamide

Formula

C14 H9 N O2

Formal charge

0

Molecular weight

223.227 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c2cccc3C(=O)c1ccccc1c23)N
SMILES CACTVS 3.385 NC(=O)c1cccc2C(=O)c3ccccc3c12
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O
Canonical SMILES CACTVS 3.385 NC(=O)c1cccc2C(=O)c3ccccc3c12
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O

IUPAC InChI

InChI=1S/C14H9NO2/c15-14(17)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)16/h1-7H,(H2,15,17)

IUPAC InChI key

PRROCNFTWSJBTJ-UHFFFAOYSA-N
R6T

wwPDB Information

Atom count

26 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-25

Last modified at

2020-06-12

Status

Released

Obsoleted

Not Assigned