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Summary Geometry Related PDB entries

6JT

Summary

Name:	(3R)-3-{3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide
Formula:	C20 H23 N3 O4
Formal charge:	0
Formula weight:	369.414 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3R)-3-{3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide
OpenEye OEToolkits	2.0.4	(3~{R})-3-[3-(1-benzofuran-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-4-cyclopentyl-~{N}-oxidanyl-butanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(C(CC(c1nc(no1)Cc2c3c(oc2)cccc3)CC4CCCC4)=O)O
InChI	InChI	1.03	InChI=1S/C20H23N3O4/c24-19(22-25)11-14(9-13-5-1-2-6-13)20-21-18(23-27-20)10-15-12-26-17-8-4-3-7-16(15)17/h3-4,7-8,12-14,25H,1-2,5-6,9-11H2,(H,22,24)/t14-/m1/s1
InChIKey	InChI	1.03	CCFPWVUEYLWVCR-CQSZACIVSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=O)C[C@@H](CC1CCCC1)c2onc(Cc3coc4ccccc34)n2
SMILES	CACTVS	3.385	ONC(=O)C[CH](CC1CCCC1)c2onc(Cc3coc4ccccc34)n2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	c1ccc2c(c1)c(co2)Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO
SMILES	OpenEye OEToolkits	2.0.4	c1ccc2c(c1)c(co2)Cc3nc(on3)C(CC4CCCC4)CC(=O)NO

223166

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