Chemical Components in the PDB

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ZKZ : Summary

Code

ZKZ

One-letter code

X

Molecule name

N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide
OpenEye OEToolkits 2.0.7 ~{N}-methyl-4-[5-(phenoxymethyl)furan-2-yl]carbonyl-piperazine-1-carboxamide

Formula

C18 H21 N3 O4

Formal charge

0

Molecular weight

343.377 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CNC(=O)N1CCN(CC1)C(=O)c1ccc(COc2ccccc2)o1
SMILES CACTVS 3.385 CNC(=O)N1CCN(CC1)C(=O)c2oc(COc3ccccc3)cc2
SMILES OpenEye OEToolkits 2.0.7 CNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)COc3ccccc3
Canonical SMILES CACTVS 3.385 CNC(=O)N1CCN(CC1)C(=O)c2oc(COc3ccccc3)cc2
Canonical SMILES OpenEye OEToolkits 2.0.7 CNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)COc3ccccc3

IUPAC InChI

InChI=1S/C18H21N3O4/c1-19-18(23)21-11-9-20(10-12-21)17(22)16-8-7-15(25-16)13-24-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,19,23)

IUPAC InChI key

QBRVSAXGTOEUNH-UHFFFAOYSA-N
ZKZ

wwPDB Information

Atom count

46 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-03-14

Last modified at

2023-03-24

Status

Released

Obsoleted

Not Assigned