48R

(2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide

Created:	2014-06-12
Last modified:	2015-06-24

Find Related PDB Entry
1 entries where 48R 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	43
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	12

2D diagram of 48R

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide
Systematic Name (OpenEye OEToolkits)	(2R)-3-(fluoren-9-ylideneamino)oxy-2-methyl-N-methylsulfonyl-propanamide
Formula	C₁₈ H₁₈ N₂ O₄ S
Molecular Weight	358.412
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(NC(=O)C(C)CO\N=C3/c1ccccc1c2c3cccc2)C
SMILES	CACTVS	3.385	C[CH](CON=C1c2ccccc2c3ccccc13)C(=O)N[S](C)(=O)=O
SMILES	OpenEye OEToolkits	1.9.2	CC(CON=C1c2ccccc2-c3c1cccc3)C(=O)NS(=O)(=O)C
Canonical SMILES	CACTVS	3.385	C[C@H](CON=C1c2ccccc2c3ccccc13)C(=O)N[S](C)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	C[C@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)NS(=O)(=O)C
InChI	InChI	1.03	InChI=1S/C18H18N2O4S/c1-12(18(21)20-25(2,22)23)11-24-19-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12H,11H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKey	InChI	1.03	FRTXAYQPEDIBAD-GFCCVEGCSA-N

Related Resource References

Resource Name	Reference
PubChem	137348214

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.