2AG

(2S)-2-aminopent-4-enoic acid

Created:	2008-04-17
Last modified:	2024-09-27

Find Related PDB Entry
3 entries where 2AG is covalently linked to polymer or other heterogen groups 1 entries where 2AG 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	17
Chiral Atom Count	1
Bond Count	16
Aromatic Bond Count	0

2D diagram of 2AG

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2S)-2-aminopent-4-enoic acid
Synonyms	L-allylglycine
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanylpent-4-enoic acid
Formula	C₅ H₉ N O₂
Molecular Weight	115.13
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)C/C=C
SMILES	CACTVS	3.370	N[CH](CC=C)C(O)=O
SMILES	OpenEye OEToolkits	1.7.2	C=CCC(C(=O)O)N
Canonical SMILES	CACTVS	3.370	N[C@@H](CC=C)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	C=CC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m0/s1
InChIKey	InChI	1.03	WNNNWFKQCKFSDK-BYPYZUCNSA-N

Related Resource References

Resource Name	Reference
PubChem	167529, 6994429
ChEMBL	CHEMBL1229875

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.