Chemical Components in the PDB

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D4P : Summary

Code

D4P

One-letter code

X

Molecule name

(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID

Systematic names

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

Formula

C8 H9 N O3

Formal charge

0

Molecular weight

167.162 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)c1ccc(O)cc1
SMILES CACTVS 3.341 N[CH](C(O)=O)c1ccc(O)cc1
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C(C(=O)O)N)O
Canonical SMILES CACTVS 3.341 N[C@H](C(O)=O)c1ccc(O)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1[C@@H](C(=O)O)N)O

IUPAC InChI

InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1

IUPAC InChI key

LJCWONGJFPCTTL-ZETCQYMHSA-N
D4P

wwPDB Information

Atom count

21 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

UNK

Defined at

2004-09-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned