Chemical Components in the PDB

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GZB : Summary

Code

GZB

One-letter code

X

Molecule name

2-benzamidoethanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-benzamidoethanoic acid

Formula

C9 H9 N O3

Formal charge

0

Molecular weight

179.173 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)CNC(=O)c1ccccc1
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C(=O)NCC(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)CNC(=O)c1ccccc1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C(=O)NCC(=O)O

IUPAC InChI

InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)

IUPAC InChI key

QIAFMBKCNZACKA-UHFFFAOYSA-N
GZB

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide NH3 amino terminus

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2017-07-22

Last modified at

2017-11-24

Status

Released

Obsoleted

Not Assigned