Chemical Components in the PDB

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ZYQ : Summary

Code

ZYQ

One-letter code

X

Molecule name

N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-(4-oxo-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
OpenEye OEToolkits 1.6.1 N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)ethanamide

Formula

C9 H11 N3 O2 S

Formal charge

0

Molecular weight

225.268 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1NCCCc2nc(sc12)NC(=O)C
SMILES CACTVS 3.352 CC(=O)Nc1sc2C(=O)NCCCc2n1
SMILES OpenEye OEToolkits 1.6.1 CC(=O)Nc1nc2c(s1)C(=O)NCCC2
Canonical SMILES CACTVS 3.352 CC(=O)Nc1sc2C(=O)NCCCc2n1
Canonical SMILES OpenEye OEToolkits 1.6.1 CC(=O)Nc1nc2c(s1)C(=O)NCCC2

IUPAC InChI

InChI=1S/C9H11N3O2S/c1-5(13)11-9-12-6-3-2-4-10-8(14)7(6)15-9/h2-4H2,1H3,(H,10,14)(H,11,12,13)

IUPAC InChI key

OYHOEDBNAJPFKK-UHFFFAOYSA-N
ZYQ

wwPDB Information

Atom count

26 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-07-03

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned