Chemical Components in the PDB

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1EP : Summary

Code

1EP

One-letter code

X

Molecule name

(5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione

Systematic names

ProgramVersionName
ACDLabs 12.01 (5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione
OpenEye OEToolkits 1.7.6 (5S)-3-[(4-tert-butylphenyl)methyl]-5-propan-2-yl-imidazolidine-2,4-dione

Formula

C17 H24 N2 O2

Formal charge

0

Molecular weight

288.385 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1N(C(=O)NC1C(C)C)Cc2ccc(cc2)C(C)(C)C
SMILES CACTVS 3.370 CC(C)[CH]1NC(=O)N(Cc2ccc(cc2)C(C)(C)C)C1=O
SMILES OpenEye OEToolkits 1.7.6 CC(C)C1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C
Canonical SMILES CACTVS 3.370 CC(C)[C@@H]1NC(=O)N(Cc2ccc(cc2)C(C)(C)C)C1=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(C)[C@H]1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C

IUPAC InChI

InChI=1S/C17H24N2O2/c1-11(2)14-15(20)19(16(21)18-14)10-12-6-8-13(9-7-12)17(3,4)5/h6-9,11,14H,10H2,1-5H3,(H,18,21)/t14-/m0/s1

IUPAC InChI key

CTDZHQXPMZUNNH-AWEZNQCLSA-N
1EP

wwPDB Information

Atom count

45 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-01-07

Last modified at

2013-06-28

Status

Released

Obsoleted

Not Assigned