Chemical Components in the PDB

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AOR : Summary

Code

AOR

One-letter code

X

Molecule name

N~2~-ACETYL-L-ORNITHINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N~2~-acetyl-L-ornithine
OpenEye OEToolkits 1.5.0 (2S)-2-acetamido-5-amino-pentanoic acid

Formula

C7 H14 N2 O3

Formal charge

0

Molecular weight

174.198 Da

SMILES

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

IUPAC InChI

InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1

IUPAC InChI key

JRLGPAXAGHMNOL-LURJTMIESA-N
AOR

wwPDB Information

Atom count

26 (12 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