LSX

[(1S)-4-[hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid

Created:	2012-10-04
Last modified:	2014-11-26

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1 entries where LSX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	6

2D diagram of LSX

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Chemical Component Summary
Name	[(1S)-4-[hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid
Systematic Name (OpenEye OEToolkits)	[(1S)-1-(4-methoxyphenyl)-4-[methyl(oxidanyl)amino]-4-oxidanylidene-butyl]phosphonic acid
Formula	C₁₂ H₁₈ N O₆ P
Molecular Weight	303.248
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)C(c1ccc(OC)cc1)CCC(=O)N(O)C
SMILES	CACTVS	3.370	COc1ccc(cc1)[CH](CCC(=O)N(C)O)[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CN(C(=O)CCC(c1ccc(cc1)OC)P(=O)(O)O)O
Canonical SMILES	CACTVS	3.370	COc1ccc(cc1)[C@H](CCC(=O)N(C)O)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CN(C(=O)CC[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C12H18NO6P/c1-13(15)12(14)8-7-11(20(16,17)18)9-3-5-10(19-2)6-4-9/h3-6,11,15H,7-8H2,1-2H3,(H2,16,17,18)/t11-/m0/s1
InChIKey	InChI	1.03	VLBYPFQOJHBTHH-NSHDSACASA-N

Related Resource References

Resource Name	Reference
PubChem	86278548

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.