Chemical Components in the PDB

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V6Z : Summary

Code

V6Z

One-letter code

X

Molecule name

methyl N-(2-chlorobenzoyl)glycinate

Systematic names

ProgramVersionName
ACDLabs 12.01 methyl N-(2-chlorobenzoyl)glycinate
OpenEye OEToolkits 2.0.7 methyl 2-[(2-chlorophenyl)carbonylamino]ethanoate

Formula

C10 H10 Cl N O3

Formal charge

0

Molecular weight

227.644 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NCC(=O)OC)c1ccccc1Cl
SMILES CACTVS 3.385 COC(=O)CNC(=O)c1ccccc1Cl
SMILES OpenEye OEToolkits 2.0.7 COC(=O)CNC(=O)c1ccccc1Cl
Canonical SMILES CACTVS 3.385 COC(=O)CNC(=O)c1ccccc1Cl
Canonical SMILES OpenEye OEToolkits 2.0.7 COC(=O)CNC(=O)c1ccccc1Cl

IUPAC InChI

InChI=1S/C10H10ClNO3/c1-15-9(13)6-12-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,14)

IUPAC InChI key

NVWHFQJYAXGYIN-UHFFFAOYSA-N
V6Z

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-29

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned