Chemical Components in the PDB

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ZUZ : Summary

Code

ZUZ

One-letter code

X

Molecule name

methyl N-(cyclohexanecarbonyl)glycinate

Systematic names

ProgramVersionName
ACDLabs 12.01 methyl N-(cyclohexanecarbonyl)glycinate
OpenEye OEToolkits 2.0.7 methyl 2-(cyclohexylcarbonylamino)ethanoate

Formula

C10 H17 N O3

Formal charge

0

Molecular weight

199.247 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NCC(=O)OC)C1CCCCC1
SMILES CACTVS 3.385 COC(=O)CNC(=O)C1CCCCC1
SMILES OpenEye OEToolkits 2.0.7 COC(=O)CNC(=O)C1CCCCC1
Canonical SMILES CACTVS 3.385 COC(=O)CNC(=O)C1CCCCC1
Canonical SMILES OpenEye OEToolkits 2.0.7 COC(=O)CNC(=O)C1CCCCC1

IUPAC InChI

InChI=1S/C10H17NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,13)

IUPAC InChI key

ANWVRESNPYHPKG-UHFFFAOYSA-N
ZUZ

wwPDB Information

Atom count

31 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-07-05

Last modified at

2023-07-21

Status

Released

Obsoleted

Not Assigned