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Summary Geometry Related PDB entries

SF7

Summary

Name:	(3R)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyheptanamide
Formula:	C16 H20 F N3 O3
Formal charge:	0
Formula weight:	321.347 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3R)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyheptanamide
OpenEye OEToolkits	2.0.4	(3~{R})-3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-~{N}-oxidanyl-heptanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(CC(c1nc(no1)Cc2ccc(cc2)F)CCCC)NO
InChI	InChI	1.03	InChI=1S/C16H20FN3O3/c1-2-3-4-12(10-15(21)19-22)16-18-14(20-23-16)9-11-5-7-13(17)8-6-11/h5-8,12,22H,2-4,9-10H2,1H3,(H,19,21)/t12-/m1/s1
InChIKey	InChI	1.03	NPHICFLHFQUZKX-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCC[C@H](CC(=O)NO)c1onc(Cc2ccc(F)cc2)n1
SMILES	CACTVS	3.385	CCCC[CH](CC(=O)NO)c1onc(Cc2ccc(F)cc2)n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F
SMILES	OpenEye OEToolkits	2.0.4	CCCCC(CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F

224572

数据于2024-09-04公开中

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