Chemical Components in the PDB

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N9P : Summary

Code

N9P

One-letter code

A

Molecule name

3-pyridin-4-yl-L-alanine

Systematic names

ProgramVersionName
ACDLabs 12.01 3-pyridin-4-yl-L-alanine
OpenEye OEToolkits 2.0.7 (2~{S})-2-azanyl-3-pyridin-4-yl-propanoic acid

Formula

C8 H10 N2 O2

Formal charge

0

Molecular weight

166.177 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NC(C(=O)O)Cc1ccncc1
SMILES CACTVS 3.385 N[CH](Cc1ccncc1)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 c1cnccc1CC(C(=O)O)N
Canonical SMILES CACTVS 3.385 N[C@@H](Cc1ccncc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cnccc1C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1

IUPAC InChI key

FQFVANSXYKWQOT-ZETCQYMHSA-N
N9P

wwPDB Information

Atom count

22 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

ALA

Defined at

2019-05-09

Last modified at

2020-04-24

Status

Released

Obsoleted

Not Assigned