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Summary Geometry Related PDB entries

H7A

Summary

Name:	4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid
Formula:	C16 H16 F N O6 S
Formal charge:	0
Formula weight:	369.365 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid
OpenEye OEToolkits	2.0.6	4-[[(4~{R})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-yl]sulfamoyl]-2,5-dimethyl-furan-3-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C2CC(c1c(ccc(c1)F)O2)NS(c3c(c(C)oc3C)C(O)=O)(=O)=O
InChI	InChI	1.03	InChI=1S/C16H16FNO6S/c1-8-14(16(19)20)15(9(2)24-8)25(21,22)18-12-5-6-23-13-4-3-10(17)7-11(12)13/h3-4,7,12,18H,5-6H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKey	InChI	1.03	YXLDXDUEWBKCKU-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1oc(C)c(c1C(O)=O)[S](=O)(=O)N[C@@H]2CCOc3ccc(F)cc23
SMILES	CACTVS	3.385	Cc1oc(C)c(c1C(O)=O)[S](=O)(=O)N[CH]2CCOc3ccc(F)cc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1c(c(c(o1)C)S(=O)(=O)N[C@@H]2CCOc3c2cc(cc3)F)C(=O)O
SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c(c(o1)C)S(=O)(=O)NC2CCOc3c2cc(cc3)F)C(=O)O

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건을2024-07-17부터공개중

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