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ARV : Summary

Code

ARV

One-letter code

X

Molecule name

5-N-ALLYL-ARGININE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-[(1Z)-amino{[(4S)-4-amino-4-carboxybutyl]amino}methylidene]prop-2-en-1-aminium
OpenEye OEToolkits 1.5.0 (Z)-[amino-[[(4S)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]-prop-2-enyl-azanium

Formula

C9 H19 N4 O2

Formal charge

1

Molecular weight

215.273 Da

SMILES

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

IUPAC InChI

InChI=1S/C9H18N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h2,7H,1,3-6,10H2,(H,14,15)(H3,11,12,13)/p+1/t7-/m0/s1

IUPAC InChI key

ZPQWZDPOLXVMOU-ZETCQYMHSA-O
ARV

wwPDB Information

Atom count

34 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

UNK

Defined at

2001-10-22

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned