Chemical Components in the PDB

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5CR : Summary

Code

5CR

One-letter code

F

Molecule name

N-acetyl-L-phenylalanine

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 (2S)-2-acetamido-3-phenyl-propanoic acid

Formula

C11 H13 N O3

Formal charge

0

Molecular weight

207.226 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)N[CH](Cc1ccccc1)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CC(=O)NC(Cc1ccccc1)C(=O)O
Canonical SMILES CACTVS 3.385 CC(=O)N[C@@H](Cc1ccccc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(=O)N[C@@H](Cc1ccccc1)C(=O)O

IUPAC InChI

InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1

IUPAC InChI key

CBQJSKKFNMDLON-JTQLQIEISA-N
5CR

wwPDB Information

Atom count

28 (15 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PHE

Defined at

2015-10-12

Last modified at

2016-11-11

Status

Released

Obsoleted

Not Assigned