Chemical Components in the PDB

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0UZ : Summary

Code

0UZ

One-letter code

X

Molecule name

(2R)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid
OpenEye OEToolkits 1.7.6 (2R)-2-azanyl-2-(3-chloranyl-4-oxidanyl-phenyl)ethanoic acid

Formula

C8 H8 Cl N O3

Formal charge

0

Molecular weight

201.607 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Clc1cc(ccc1O)C(C(=O)O)N
SMILES CACTVS 3.370 N[CH](C(O)=O)c1ccc(O)c(Cl)c1
SMILES OpenEye OEToolkits 1.7.6 c1cc(c(cc1C(C(=O)O)N)Cl)O
Canonical SMILES CACTVS 3.370 N[C@@H](C(O)=O)c1ccc(O)c(Cl)c1
Canonical SMILES OpenEye OEToolkits 1.7.6 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-/m1/s1

IUPAC InChI key

FLZDFFKRJPLFGS-SSDOTTSWSA-N
0UZ

wwPDB Information

Atom count

21 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2012-06-27

Last modified at

2012-06-29

Status

Released

Obsoleted

Not Assigned