Chemical Components in the PDB

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UVD : Summary

Code

UVD

One-letter code

X

Molecule name

methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate

Systematic names

ProgramVersionName
ACDLabs 12.01 methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate
OpenEye OEToolkits 2.0.7 methyl ~{N}-[4-(pyridin-4-ylmethyl)phenyl]carbamate

Formula

C14 H14 N2 O2

Formal charge

0

Molecular weight

242.273 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n2ccc(Cc1ccc(cc1)NC(OC)=O)cc2
SMILES CACTVS 3.385 COC(=O)Nc1ccc(Cc2ccncc2)cc1
SMILES OpenEye OEToolkits 2.0.7 COC(=O)Nc1ccc(cc1)Cc2ccncc2
Canonical SMILES CACTVS 3.385 COC(=O)Nc1ccc(Cc2ccncc2)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 COC(=O)Nc1ccc(cc1)Cc2ccncc2

IUPAC InChI

InChI=1S/C14H14N2O2/c1-18-14(17)16-13-4-2-11(3-5-13)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)

IUPAC InChI key

ZWUBZIQOXMHHOZ-UHFFFAOYSA-N
UVD

wwPDB Information

Atom count

32 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-06-02

Last modified at

2020-06-12

Status

Released

Obsoleted

Not Assigned