FOB

[(1R)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid

Created:	2012-07-26
Last modified:	2013-02-01

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1 entries where FOB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	1
Bond Count	33
Aromatic Bond Count	6

2D diagram of FOB

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Chemical Component Summary
Name	[(1R)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid
Systematic Name (OpenEye OEToolkits)	[(1R)-3-[ethanoyl(oxidanyl)amino]-1-pyridin-4-yl-propyl]phosphonic acid
Formula	C₁₀ H₁₅ N₂ O₅ P
Molecular Weight	274.21
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N(O)CCC(c1ccncc1)P(=O)(O)O)C
SMILES	CACTVS	3.370	CC(=O)N(O)CC[CH](c1ccncc1)[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(=O)N(CCC(c1ccncc1)P(=O)(O)O)O
Canonical SMILES	CACTVS	3.370	CC(=O)N(O)CC[C@H](c1ccncc1)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(=O)N(CC[C@H](c1ccncc1)P(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C10H15N2O5P/c1-8(13)12(14)7-4-10(18(15,16)17)9-2-5-11-6-3-9/h2-3,5-6,10,14H,4,7H2,1H3,(H2,15,16,17)/t10-/m1/s1
InChIKey	InChI	1.03	AMWIPWYKSYZXGB-SNVBAGLBSA-N

Related Resource References

Resource Name	Reference
PubChem	70698420

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