Chemical Components in the PDB

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NFA : Summary

Code

NFA

One-letter code

F

Molecule name

PHENYLALANINE AMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 L-phenylalaninamide
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-phenyl-propanamide

Formula

C9 H12 N2 O

Formal charge

0

Molecular weight

164.204 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(N)C(N)Cc1ccccc1
SMILES CACTVS 3.341 N[CH](Cc1ccccc1)C(N)=O
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CC(C(=O)N)N
Canonical SMILES CACTVS 3.341 N[C@@H](Cc1ccccc1)C(N)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C[C@@H](C(=O)N)N

IUPAC InChI

InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1

IUPAC InChI key

OBSIQMZKFXFYLV-QMMMGPOBSA-N
NFA

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PHE

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned