Chemical Components in the PDB

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CHP : Summary

Code

CHP

One-letter code

G

Molecule name

3-CHLORO-4-HYDROXYPHENYLGLYCINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid
OpenEye OEToolkits 1.5.0 (2S)-2-amino-2-(3-chloro-4-hydroxy-phenyl)ethanoic acid

Formula

C8 H8 Cl N O3

Formal charge

0

Molecular weight

201.607 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc1cc(ccc1O)C(C(=O)O)N
SMILES CACTVS 3.341 N[CH](C(O)=O)c1ccc(O)c(Cl)c1
SMILES OpenEye OEToolkits 1.5.0 c1cc(c(cc1C(C(=O)O)N)Cl)O
Canonical SMILES CACTVS 3.341 N[C@H](C(O)=O)c1ccc(O)c(Cl)c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(c(cc1[C@@H](C(=O)O)N)Cl)O

IUPAC InChI

InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m0/s1

IUPAC InChI key

FLZDFFKRJPLFGS-ZETCQYMHSA-N
CHP

wwPDB Information

Atom count

21 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

GLY

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned