Chemical Components in the PDB

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NRG : Summary

Code

NRG

One-letter code

X

Molecule name

N-OMEGA-NITRO-L-ARGININE

Synonyms

NNA

Systematic names

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

Formula

C6 H13 N5 O4

Formal charge

0

Molecular weight

219.199 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1

IUPAC InChI key

MRAUNPAHJZDYCK-BYPYZUCNSA-N
NRG

wwPDB Information

Atom count

28 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

L-PEPTIDE LINKING

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-28

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned