English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

P7J

Summary

Name:	4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide
Formula:	C18 H26 N2 O2
Formal charge:	0
Formula weight:	302.411 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide
OpenEye OEToolkits	2.0.7	4-[[[(1~{R},2~{R},5~{R})-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methylamino]methyl]-~{N}-oxidanyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3c(CNCC2CCC1CC2C1(C)C)ccc(C(NO)=O)c3
InChI	InChI	1.03	InChI=1S/C18H26N2O2/c1-18(2)15-8-7-14(16(18)9-15)11-19-10-12-3-5-13(6-4-12)17(21)20-22/h3-6,14-16,19,22H,7-11H2,1-2H3,(H,20,21)/t14-,15+,16+/m0/s1
InChIKey	InChI	1.03	JDQKGQWEIJPQSI-ARFHVFGLSA-N
SMILES_CANONICAL	CACTVS	3.385	CC1(C)[C@@H]2CC[C@@H](CNCc3ccc(cc3)C(=O)NO)[C@H]1C2
SMILES	CACTVS	3.385	CC1(C)[CH]2CC[CH](CNCc3ccc(cc3)C(=O)NO)[CH]1C2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1([C@@H]2CC[C@H]([C@H]1C2)CNCc3ccc(cc3)C(=O)NO)C
SMILES	OpenEye OEToolkits	2.0.7	CC1(C2CCC(C1C2)CNCc3ccc(cc3)C(=O)NO)C

222415

PDB entries from 2024-07-10

PDB statistics

PDBj update info

Contact PDBj

numon