08M

N~5~-(pyrazin-2-ylcarbonyl)-L-ornithine

Created:	2011-10-13
Last modified:	2024-09-27

Find Related PDB Entry
2 entries where 08M 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	31
Aromatic Bond Count	6

2D diagram of 08M

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N~5~-(pyrazin-2-ylcarbonyl)-L-ornithine
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-5-(pyrazin-2-ylcarbonylamino)pentanoic acid
Formula	C₁₀ H₁₄ N₄ O₃
Molecular Weight	238.243
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCCCC(C(=O)O)N)c1nccnc1
SMILES	CACTVS	3.370	N[CH](CCCNC(=O)c1cnccn1)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	c1cnc(cn1)C(=O)NCCCC(C(=O)O)N
Canonical SMILES	CACTVS	3.370	N[C@@H](CCCNC(=O)c1cnccn1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cnc(cn1)C(=O)NCCC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C10H14N4O3/c11-7(10(16)17)2-1-3-14-9(15)8-6-12-4-5-13-8/h4-7H,1-3,11H2,(H,14,15)(H,16,17)/t7-/m0/s1
InChIKey	InChI	1.03	GJGIGJGNECGMMN-ZETCQYMHSA-N

Related Resource References

Resource Name	Reference
PubChem	7020798, 7020799

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.