PDB Chemical Component ARV

Ideal Model

Chemical Description

Name 5-N-ALLYL-ARGININE
Formula C9 H19 N4 O2
Formal charge 1
Molecular weight 215.273 g/mol
Component type L-PEPTIDE LINKING

Chemical features

Atom count 34
Chiral atom count 1
Chiral atoms CA
Observed leaving atoms OXT H2 HXT
Bond count 33
Aromatic bond count 0

Chemical Identifiers

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

Chemical Descriptors

Stereo SMILES (CACTVS) N[C@@H](CCCNC(N)=[NH+]CC=C)C(O)=O
SMILES (CACTVS) N[CH](CCCNC(N)=[NH+]CC=C)C(O)=O
Stereo SMILES (OpenEye) C=CC\[NH+]=C(\N)/NCCC[C@@H](C(=O)O)N
InChI descriptor InChI=1/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/fC9H19N4O2/h12-14H,11H2/q+1
InChIKey descriptor ZPQWZDPOLXVMOU-QGKQBEKCDF

Status Information

Last modified 2009-01-07
Created 2001-10-22
Release status REL
Model PDB code 1K2S
Processing site RCSB