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

A1L0D

Summary

Name:	[(~{R})-cyclohexyl-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]methyl]boronic acid
Formula:	C16 H27 B N4 O3
Formal charge:	0
Formula weight:	334.222 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	[(~{R})-cyclohexyl-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]methyl]boronic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C16H27BN4O3/c22-16(18-15(17(23)24)12-7-3-1-4-8-12)14-11-21(20-19-14)13-9-5-2-6-10-13/h11-13,15,23-24H,1-10H2,(H,18,22)/t15-/m0/s1
InChIKey	InChI	1.06	SSGADSLNPZAYBK-HNNXBMFYSA-N
SMILES_CANONICAL	CACTVS	3.385	OB(O)[C@@H](NC(=O)c1cn(nn1)C2CCCCC2)C3CCCCC3
SMILES	CACTVS	3.385	OB(O)[CH](NC(=O)c1cn(nn1)C2CCCCC2)C3CCCCC3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	B([C@H](C1CCCCC1)NC(=O)c2cn(nn2)C3CCCCC3)(O)O
SMILES	OpenEye OEToolkits	2.0.7	B(C(C1CCCCC1)NC(=O)c2cn(nn2)C3CCCCC3)(O)O

225946

數據於2024-10-09公開中

PDB statistics

PDBj update info

Contact PDBj

numon