Chemical Components in the PDB

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L4Z : Summary

Code

L4Z

One-letter code

X

Molecule name

(2,5-dimethylpyrazol-3-yl)methylcarbamic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2,5-dimethylpyrazol-3-yl)methylcarbamic acid

Formula

C7 H11 N3 O2

Formal charge

0

Molecular weight

169.181 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cn1nc(C)cc1CNC(O)=O
SMILES OpenEye OEToolkits 2.0.7 Cc1cc(n(n1)C)CNC(=O)O
Canonical SMILES CACTVS 3.385 Cn1nc(C)cc1CNC(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cc(n(n1)C)CNC(=O)O

IUPAC InChI

InChI=1S/C7H11N3O2/c1-5-3-6(10(2)9-5)4-8-7(11)12/h3,8H,4H2,1-2H3,(H,11,12)

IUPAC InChI key

GIQHHEQBVBVTAS-UHFFFAOYSA-N
L4Z

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-07-22

Last modified at

2020-08-21

Status

Released

Obsoleted

Not Assigned