Chemical Components in the PDB

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2MR : Summary

Code

2MR

One-letter code

R

Molecule name

N3, N4-DIMETHYLARGININE

Systematic names

ProgramVersionName
ACDLabs 10.04 N~5~-(N,N'-dimethylcarbamimidoyl)-L-ornithine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-5-[(N,N'-dimethylcarbamimidoyl)amino]pentanoic acid

Formula

C8 H18 N4 O2

Formal charge

0

Molecular weight

202.254 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CCCN\C(=N/C)NC
SMILES CACTVS 3.341 CNC(NCCC[CH](N)C(O)=O)=NC
SMILES OpenEye OEToolkits 1.5.0 CNC(=NC)NCCCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 CNC(NCCC[C@H](N)C(O)=O)=NC
Canonical SMILES OpenEye OEToolkits 1.5.0 CN/C(=N/C)/NCCC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1

IUPAC InChI key

HVPFXCBJHIIJGS-LURJTMIESA-N
2MR

wwPDB Information

Atom count

32 (14 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ARG

Defined at

2000-11-03

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned