Chemical Components in the PDB

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ZAE : Summary

Code

ZAE

One-letter code

X

Molecule name

N-methyl-D-phenylalanine

Systematic names

ProgramVersionName
ACDLabs 10.04 N-methyl-D-phenylalanine
OpenEye OEToolkits 1.5.0 (2R)-2-methylamino-3-phenyl-propanoic acid

Formula

C10 H13 N O2

Formal charge

0

Molecular weight

179.216 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(NC)Cc1ccccc1
SMILES CACTVS 3.341 CN[CH](Cc1ccccc1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CNC(Cc1ccccc1)C(=O)O
Canonical SMILES CACTVS 3.341 CN[C@H](Cc1ccccc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 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-/m1/s1

IUPAC InChI key

SCIFESDRCALIIM-SECBINFHSA-N

Is part of

MDL , 1Z0 , MIN
ZAE

wwPDB Information

Atom count

26 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2009-02-06

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned