Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

LN5 : Summary

Code

LN5

One-letter code

X

Molecule name

N5-(1-iminopropyl)-L-ornithine

Synonyms

(2S)-2-azanyl-5-(propanimidoylamino)pentanoic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 N~5~-[(1Z)-propanimidoyl]-L-ornithine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-5-(propanimidoylamino)pentanoic acid

Formula

C8 H17 N3 O2

Formal charge

0

Molecular weight

187.239 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CCCNC(=[N@H])CC
SMILES CACTVS 3.341 CCC(=N)NCCC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 [H]N=C(CC)NCCCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 CCC(=N)NCCC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 [H]/N=C(/CC)\NCCC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C8H17N3O2/c1-2-7(10)11-5-3-4-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1

IUPAC InChI key

ZYIBCZWVLDODOL-LURJTMIESA-N
LN5

wwPDB Information

Atom count

30 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-07-07

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned