57N

(2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

Created:	2015-08-10
Last modified:	2016-06-08

Find Related PDB Entry
3 entries where 57N is found as a standalone ligand

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	40
Chiral Atom Count	1
Bond Count	43
Aromatic Bond Count	17

2D diagram of 57N

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
Systematic Name (OpenEye OEToolkits)	(2R)-2-(3-oxidanylidene-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)ethanamide
Formula	C₁₉ H₁₅ N₃ O₂ S
Molecular Weight	349.406
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(nccs1)NC(C(c2ccccc2)N4C(c3ccccc3C4)=O)=O
SMILES	CACTVS	3.385	O=C(Nc1sccn1)[CH](N2Cc3ccccc3C2=O)c4ccccc4
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)C(C(=O)Nc2nccs2)N3Cc4ccccc4C3=O
Canonical SMILES	CACTVS	3.385	O=C(Nc1sccn1)[C@H](N2Cc3ccccc3C2=O)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)[C@H](C(=O)Nc2nccs2)N3Cc4ccccc4C3=O
InChI	InChI	1.03	InChI=1S/C19H15N3O2S/c23-17(21-19-20-10-11-25-19)16(13-6-2-1-3-7-13)22-12-14-8-4-5-9-15(14)18(22)24/h1-11,16H,12H2,(H,20,21,23)/t16-/m1/s1
InChIKey	InChI	1.03	PWRVRDCBFYLYFU-MRXNPFEDSA-N

Related Resource References

Resource Name	Reference
PubChem	51607467

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.