Chemical Components in the PDB

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AN0 : Summary

Code

AN0

One-letter code

X

Molecule name

N-ACETYL-L-NORVALINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-acetyl-L-norvaline
OpenEye OEToolkits 1.5.0 (2S)-2-acetamidopentanoic acid

Formula

C7 H13 N O3

Formal charge

0

Molecular weight

159.183 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NC(C(=O)O)CCC)C
SMILES CACTVS 3.341 CCC[CH](NC(C)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CCCC(C(=O)O)NC(=O)C
Canonical SMILES CACTVS 3.341 CCC[C@H](NC(C)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCC[C@@H](C(=O)O)NC(=O)C

IUPAC InChI

InChI=1S/C7H13NO3/c1-3-4-6(7(10)11)8-5(2)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1

IUPAC InChI key

BSYFPUSAWVWWDG-LURJTMIESA-N
AN0

wwPDB Information

Atom count

24 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-06-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned