Chemical Components in the PDB

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3AR : Summary

Code

3AR

One-letter code

X

Molecule name

N-OMEGA-PROPYL-L-ARGININE

Systematic names

ProgramVersionName
ACDLabs 10.04 {[(4S)-4-amino-4-carboxybutyl]amino}(propylamino)methaniminium
OpenEye OEToolkits 1.5.0 [[[(4S)-4-amino-5-hydroxy-5-oxo-pentyl]amino]-propylamino-methylidene]azanium

Formula

C9 H21 N4 O2

Formal charge

1

Molecular weight

217.289 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CCCN\C(=[NH2+])NCCC
SMILES CACTVS 3.341 CCCNC(=[NH2+])NCCC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CCCNC(=[NH2+])NCCCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 CCCNC(=[NH2+])NCCC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCNC(=[NH2+])NCCC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/p+1/t7-/m0/s1

IUPAC InChI key

AOMXURITGZJPKB-ZETCQYMHSA-O
3AR

wwPDB Information

Atom count

36 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

UNK

Defined at

2002-09-19

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned