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Summary Geometry Related PDB entries

LRN

Summary

Name:	1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one
Formula:	C20 H36 N2 O2
Formal charge:	0
Formula weight:	336.512 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one
OpenEye OEToolkits	2.0.7	1-[(3~{R})-3-[cyclohexylmethyl-(4-oxidanylcyclohexyl)amino]piperidin-1-yl]ethanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(C)N1CCCC(C1)N(CC1CCCCC1)C1CCC(O)CC1
InChI	InChI	1.06	InChI=1S/C20H36N2O2/c1-16(23)21-13-5-8-19(15-21)22(14-17-6-3-2-4-7-17)18-9-11-20(24)12-10-18/h17-20,24H,2-15H2,1H3/t18-,19-,20-/m1/s1
InChIKey	InChI	1.06	BWGFBDXTNPNCAD-VAMGGRTRSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)N1CCC[C@H](C1)N(CC2CCCCC2)[C@H]3CC[C@H](O)CC3
SMILES	CACTVS	3.385	CC(=O)N1CCC[CH](C1)N(CC2CCCCC2)[CH]3CC[CH](O)CC3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=O)N1CCC[C@H](C1)N(CC2CCCCC2)C3CCC(CC3)O
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCCC(C1)N(CC2CCCCC2)C3CCC(CC3)O

218853

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