Protein Data Bank
in Europe

Bringing Structure to Biology

pdbe.org/chem

Download Links

Related compounds

Could not find any related compound in the PDB.

3D-Views

PDB Links

Molecule : AS2

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m1/s1
2	InChIKey	InChI	1.03	HOSWPDPVFBCLSY-GSVOUGTGSA-N
3	SMILES	ACDLabs	10.04	O=CCC(N)C(=O)O
4	SMILES	CACTVS	3.341	N[CH](CC=O)C(O)=O
5	SMILES	OpenEye OEToolkits	1.5.0	C(C=O)C(C(=O)O)N
6	Canonical SMILES	CACTVS	3.341	N[C@H](CC=O)C(O)=O
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	C(C=O)[C@H](C(=O)O)N