Chemical Components in the PDB

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MEA : Summary

Code

MEA

One-letter code

F

Molecule name

N-METHYLPHENYLALANINE

Systematic names

ProgramVersionName
ACDLabs 12.01 N-methyl-L-phenylalanine
OpenEye OEToolkits 1.7.0 (2S)-2-(methylamino)-3-phenyl-propanoic acid

Formula

C10 H13 N O2

Formal charge

0

Molecular weight

179.216 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(NC)Cc1ccccc1
SMILES CACTVS 3.370 CN[CH](Cc1ccccc1)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 CNC(Cc1ccccc1)C(=O)O
Canonical SMILES CACTVS 3.370 CN[C@@H](Cc1ccccc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 CN[C@@H](Cc1ccccc1)C(=O)O

IUPAC InChI

InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m0/s1

IUPAC InChI key

SCIFESDRCALIIM-VIFPVBQESA-N

Is part of

WRG , VRG
MEA

wwPDB Information

Atom count

26 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PHE

Defined at

2002-06-19

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned