Chemical Components in the PDB

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DA2 : Summary

Code

DA2

One-letter code

R

Molecule name

NG,NG-DIMETHYL-L-ARGININE

Synonyms

ADMA

Systematic names

ProgramVersionName
ACDLabs 12.01 N~5~-(N,N-dimethylcarbamimidoyl)-L-ornithine
OpenEye OEToolkits 1.7.6 (2S)-2-azanyl-5-[(N,N-dimethylcarbamimidoyl)amino]pentanoic acid

Formula

C8 H18 N4 O2

Formal charge

0

Molecular weight

202.254 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CN(C)C(/NCCCC(N)C(=O)O)=N
SMILES CACTVS 3.385 CN(C)C(=N)NCCC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CN(C)C(=N)NCCCC(C(=O)O)N
Canonical SMILES CACTVS 3.385 CN(C)C(=N)NCCC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 [H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)C

IUPAC InChI

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

IUPAC InChI key

YDGMGEXADBMOMJ-LURJTMIESA-N
DA2

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

1999-07-27

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned