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Summary Geometry Related PDB entries

7JT

Summary

Name:	(3R)-3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide
Formula:	C19 H23 N3 O5
Formal charge:	0
Formula weight:	373.403 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3R)-3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide
OpenEye OEToolkits	2.0.4	(3~{R})-3-[3-(1,3-benzodioxol-5-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(c1onc(n1)Cc2cc3c(cc2)OCO3)CC4CCCC4)=O)O
InChI	InChI	1.03	InChI=1S/C19H23N3O5/c23-18(21-24)10-14(7-12-3-1-2-4-12)19-20-17(22-27-19)9-13-5-6-15-16(8-13)26-11-25-15/h5-6,8,12,14,24H,1-4,7,9-11H2,(H,21,23)/t14-/m1/s1
InChIKey	InChI	1.03	XOZSWEYBEQSKBV-CQSZACIVSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=O)C[C@@H](CC1CCCC1)c2onc(Cc3ccc4OCOc4c3)n2
SMILES	CACTVS	3.385	ONC(=O)C[CH](CC1CCCC1)c2onc(Cc3ccc4OCOc4c3)n2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	c1cc2c(cc1Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO)OCO2
SMILES	OpenEye OEToolkits	2.0.4	c1cc2c(cc1Cc3nc(on3)C(CC4CCCC4)CC(=O)NO)OCO2

223166

PDB entries from 2024-07-31

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