0AR

N-[N-[(4S)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide

Created:	2009-07-10
Last modified:	2024-09-27

Find Related PDB Entry
3 entries where 0AR is found in a polymer sequence

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	0

2D diagram of 0AR

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-[N-[(4S)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-5-[(N-ethanoylcarbamimidoyl)amino]pentanoic acid
Formula	C₈ H₁₆ N₄ O₃
Molecular Weight	216.238
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C(O)C(N)CCCNC(=[N@H])NC(=O)C
SMILES	CACTVS	3.352	CC(=O)NC(=N)NCCC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	CC(=O)NC(=N)NCCCC(C(=O)O)N
Canonical SMILES	CACTVS	3.352	CC(=O)NC(=N)NCCC[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(=O)C
InChI	InChI	1.03	InChI=1S/C8H16N4O3/c1-5(13)12-8(10)11-4-2-3-6(9)7(14)15/h6H,2-4,9H2,1H3,(H,14,15)(H3,10,11,12,13)/t6-/m0/s1
InChIKey	InChI	1.03	IHBIRUKKKZVHQW-LURJTMIESA-N

Related Resource References

Resource Name	Reference
PubChem	2054880

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.