Chemical Components in the PDB

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YG9 : Summary

Code

YG9

One-letter code

X

Molecule name

(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione

Systematic names

ProgramVersionName
ACDLabs 12.01 (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
OpenEye OEToolkits 2.0.7 (5~{R})-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-imidazolidine-2,4-dione

Formula

C13 H16 N2 O3

Formal charge

0

Molecular weight

248.278 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 COc1ccc(cc1)CCC1(C)NC(=O)NC1=O
SMILES CACTVS 3.385 COc1ccc(CC[C]2(C)NC(=O)NC2=O)cc1
SMILES OpenEye OEToolkits 2.0.7 CC1(C(=O)NC(=O)N1)CCc2ccc(cc2)OC
Canonical SMILES CACTVS 3.385 COc1ccc(CC[C@@]2(C)NC(=O)NC2=O)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@]1(C(=O)NC(=O)N1)CCc2ccc(cc2)OC

IUPAC InChI

InChI=1S/C13H16N2O3/c1-13(11(16)14-12(17)15-13)8-7-9-3-5-10(18-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17)/t13-/m1/s1

IUPAC InChI key

HYRDVXQOZUFAFW-CYBMUJFWSA-N
YG9

wwPDB Information

Atom count

34 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-01-28

Last modified at

2023-02-10

Status

Released

Obsoleted

Not Assigned