LC7

[(2R)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid

Created:	2016-04-29
Last modified:	2016-08-23

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1 entries where LC7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	1
Bond Count	43
Aromatic Bond Count	6

2D diagram of LC7

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Chemical Component Summary
Name	[(2R)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid
Systematic Name (OpenEye OEToolkits)	[(2~{R})-5-(3-fluorophenyl)-2-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]pentyl]phosphonic acid
Formula	C₁₄ H₂₁ F N O₅ P
Molecular Weight	333.292
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(CC(CP(O)(O)=O)CCCc1cc(ccc1)F)N(O)C
SMILES	CACTVS	3.385	CN(O)C(=O)C[CH](CCCc1cccc(F)c1)C[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.4	CN(C(=O)CC(CCCc1cccc(c1)F)CP(=O)(O)O)O
Canonical SMILES	CACTVS	3.385	CN(O)C(=O)C[C@@H](CCCc1cccc(F)c1)C[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	CN(C(=O)C[C@@H](CCCc1cccc(c1)F)CP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C14H21FNO5P/c1-16(18)14(17)9-12(10-22(19,20)21)6-2-4-11-5-3-7-13(15)8-11/h3,5,7-8,12,18H,2,4,6,9-10H2,1H3,(H2,19,20,21)/t12-/m1/s1
InChIKey	InChI	1.03	HGIGLZBKPPPKTL-GFCCVEGCSA-N

Related Resource References

Resource Name	Reference
PubChem	121493979

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