Chemical Components in the PDB

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4BG : Summary

Code

4BG

One-letter code

X

Molecule name

N-[4-(benzyloxy)phenyl]glycinamide

Systematic names

ProgramVersionName
ACDLabs 10.04 N-[4-(benzyloxy)phenyl]glycinamide
OpenEye OEToolkits 1.5.0 2-amino-N-(4-phenylmethoxyphenyl)ethanamide

Formula

C15 H16 N2 O2

Formal charge

0

Molecular weight

256.3 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(Nc2ccc(OCc1ccccc1)cc2)CN
SMILES CACTVS 3.341 NCC(=O)Nc1ccc(OCc2ccccc2)cc1
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)COc2ccc(cc2)NC(=O)CN
Canonical SMILES CACTVS 3.341 NCC(=O)Nc1ccc(OCc2ccccc2)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)COc2ccc(cc2)NC(=O)CN

IUPAC InChI

InChI=1S/C15H16N2O2/c16-10-15(18)17-13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)

IUPAC InChI key

YJPUATSIKWOSST-UHFFFAOYSA-N
4BG

wwPDB Information

Atom count

35 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-03-14

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned