JGM

{N}-[(2~{S})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide

Created:	2018-09-10
Last modified:	2018-10-10

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2 entries where JGM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	6

2D diagram of JGM

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Chemical Component Summary
Name	{N}-[(2~{S})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(2~{S})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide
Formula	C₁₁ H₁₅ N₃ O₃
Molecular Weight	237.255
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ccc(CC(NC(C)=O)C(=O)NN)cc1)O
SMILES	CACTVS	3.385	CC(=O)N[CH](Cc1ccc(O)cc1)C(=O)NN
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)NC(Cc1ccc(cc1)O)C(=O)NN
Canonical SMILES	CACTVS	3.385	CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NN
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NN
InChI	InChI	1.03	InChI=1S/C11H15N3O3/c1-7(15)13-10(11(17)14-12)6-8-2-4-9(16)5-3-8/h2-5,10,16H,6,12H2,1H3,(H,13,15)(H,14,17)/t10-/m0/s1
InChIKey	InChI	1.03	CRZZRSWETKBGET-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
PubChem	853641

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.