Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

7Q1 : Summary

Code

7Q1

One-letter code

X

Molecule name

(5R)-5-phenyl-1,3-oxazolidine-2,4-dione

Systematic names

ProgramVersionName
ACDLabs 12.01 (5R)-5-phenyl-1,3-oxazolidine-2,4-dione
OpenEye OEToolkits 2.0.6 (5~{R})-5-phenyl-1,3-oxazolidine-2,4-dione

Formula

C9 H7 N O3

Formal charge

0

Molecular weight

177.157 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1ccc(cc1)C2OC(NC2=O)=O
SMILES CACTVS 3.385 O=C1NC(=O)[CH](O1)c2ccccc2
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C2C(=O)NC(=O)O2
Canonical SMILES CACTVS 3.385 O=C1NC(=O)[C@H](O1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)[C@@H]2C(=O)NC(=O)O2

IUPAC InChI

InChI=1S/C9H7NO3/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,11,12)/t7-/m1/s1

IUPAC InChI key

SBYYYVAMWBVIIX-SSDOTTSWSA-N
7Q1

wwPDB Information

Atom count

20 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-11-29

Last modified at

2017-08-25

Status

Released

Obsoleted

Not Assigned