L56

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

Created:	2016-05-03
Last modified:	2016-08-23

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1 entries where L56 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	1
Bond Count	46
Aromatic Bond Count	6

2D diagram of L56

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Chemical Component Summary
Name	[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methylphenyl)pentyl]phosphonic acid
Systematic Name (OpenEye OEToolkits)	[(2~{R})-2-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]-5-(3-methylphenyl)pentyl]phosphonic acid
Formula	C₁₅ H₂₄ N O₅ P
Molecular Weight	329.329
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)CC(CC(=O)N(C)O)CCCc1cc(ccc1)C
SMILES	CACTVS	3.385	CN(O)C(=O)C[CH](CCCc1cccc(C)c1)C[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.4	Cc1cccc(c1)CCCC(CC(=O)N(C)O)CP(=O)(O)O
Canonical SMILES	CACTVS	3.385	CN(O)C(=O)C[C@@H](CCCc1cccc(C)c1)C[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	Cc1cccc(c1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C15H24NO5P/c1-12-5-3-6-13(9-12)7-4-8-14(11-22(19,20)21)10-15(17)16(2)18/h3,5-6,9,14,18H,4,7-8,10-11H2,1-2H3,(H2,19,20,21)/t14-/m1/s1
InChIKey	InChI	1.03	LKGTWQXFDFYGBW-CQSZACIVSA-N

Related Resource References

Resource Name	Reference
PubChem	121493983

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