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Summary

Name:	1-(2-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide
Formula:	C28 H38 N4 O6 S
Formal charge:	0
Formula weight:	558.69 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-(2-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide
OpenEye OEToolkits	2.0.7	1-[[2-[2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridin-4-yl]carbonyl-3,4,5,6-tetrahydro-1~{H}-cyclopenta[c]pyrrol-5-yl]carbonyl]piperidine-4-sulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NS(=O)(=O)C1CCN(CC1)C(=O)C1CC=2CN(CC=2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
InChI	InChI	1.06	InChI=1S/C28H38N4O6S/c29-39(35,36)24-3-7-31(8-4-24)27(33)20-11-22-15-32(16-23(22)12-20)28(34)21-13-25(19-1-2-19)30-26(14-21)38-17-18-5-9-37-10-6-18/h13-14,18-20,24H,1-12,15-17H2,(H2,29,35,36)
InChIKey	InChI	1.06	WFZJNKMOAPOAFU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	N[S](=O)(=O)C1CCN(CC1)C(=O)C2CC3=C(C2)CN(C3)C(=O)c4cc(OCC5CCOCC5)nc(c4)C6CC6
SMILES	CACTVS	3.385	N[S](=O)(=O)C1CCN(CC1)C(=O)C2CC3=C(C2)CN(C3)C(=O)c4cc(OCC5CCOCC5)nc(c4)C6CC6
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1c(cc(nc1C2CC2)OCC3CCOCC3)C(=O)N4CC5=C(C4)CC(C5)C(=O)N6CCC(CC6)S(=O)(=O)N
SMILES	OpenEye OEToolkits	2.0.7	c1c(cc(nc1C2CC2)OCC3CCOCC3)C(=O)N4CC5=C(C4)CC(C5)C(=O)N6CCC(CC6)S(=O)(=O)N

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PDB entries from 2026-01-21

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