Chemical Components in the PDB

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4ZL : Summary

Code

4ZL

One-letter code

X

Molecule name

ethyl N-(benzylcarbamoyl)glycinate

Systematic names

ProgramVersionName
ACDLabs 12.01 ethyl N-(benzylcarbamoyl)glycinate
OpenEye OEToolkits 1.9.2 ethyl 2-[(phenylmethyl)carbamoylamino]ethanoate

Formula

C12 H16 N2 O3

Formal charge

0

Molecular weight

236.267 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1ccccc1CNC(NCC(=O)OCC)=O
SMILES CACTVS 3.385 CCOC(=O)CNC(=O)NCc1ccccc1
SMILES OpenEye OEToolkits 1.9.2 CCOC(=O)CNC(=O)NCc1ccccc1
Canonical SMILES CACTVS 3.385 CCOC(=O)CNC(=O)NCc1ccccc1
Canonical SMILES OpenEye OEToolkits 1.9.2 CCOC(=O)CNC(=O)NCc1ccccc1

IUPAC InChI

InChI=1S/C12H16N2O3/c1-2-17-11(15)9-14-12(16)13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,13,14,16)

IUPAC InChI key

JOGHOEBNQXZSDF-UHFFFAOYSA-N
4ZL

wwPDB Information

Atom count

33 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-07-02

Last modified at

2016-07-15

Status

Released

Obsoleted

Not Assigned