RB2

2-({4-CHLORO-2-[HYDROXY(METHOXY)METHYL]CYCLOHEXYL}AMINO)ETHANE-1,1,2-TRIOL

Created:	2004-10-22
Last modified:	2011-06-04

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1 entries where RB2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	5
Bond Count	37
Aromatic Bond Count	0

2D diagram of RB2

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Chemical Component Summary
Name	2-({4-CHLORO-2-[HYDROXY(METHOXY)METHYL]CYCLOHEXYL}AMINO)ETHANE-1,1,2-TRIOL
Systematic Name (OpenEye OEToolkits)	2-[[4-chloro-2-(hydroxy-methoxy-methyl)cyclohexyl]amino]ethane-1,1,2-triol
Formula	C₁₀ H₂₀ Cl N O₅
Molecular Weight	269.723
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	ClC1CC(C(NC(O)C(O)O)CC1)C(O)OC
SMILES	CACTVS	3.341	CO[CH](O)[CH]1C[CH](Cl)CC[CH]1N[CH](O)C(O)O
SMILES	OpenEye OEToolkits	1.5.0	COC(C1CC(CCC1NC(C(O)O)O)Cl)O
Canonical SMILES	CACTVS	3.341	CO[C@@H](O)[C@H]1C[C@@H](Cl)CC[C@@H]1N[C@@H](O)C(O)O
Canonical SMILES	OpenEye OEToolkits	1.5.0	COC(C1CC(CCC1NC(C(O)O)O)Cl)O
InChI	InChI	1.03	InChI=1S/C10H20ClNO5/c1-17-10(16)6-4-5(11)2-3-7(6)12-8(13)9(14)15/h5-10,12-16H,2-4H2,1H3/t5-,6?,7-,8?,10+/m0/s1
InChIKey	InChI	1.03	ZCXQIUYGWAQWDL-MOQQMVQXSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.