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Summary Geometry Related PDB entries

RF7

Summary

Name:	{(2R)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid
Formula:	C11 H16 N O5 P
Formal charge:	0
Formula weight:	273.222 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	{(2R)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid
OpenEye OEToolkits	1.9.2	[(2R)-4-[methyl(oxidanyl)amino]-4-oxidanylidene-2-phenyl-butyl]phosphonic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)CC(c1ccccc1)CC(=O)N(O)C
InChI	InChI	1.03	InChI=1S/C11H16NO5P/c1-12(14)11(13)7-10(8-18(15,16)17)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H2,15,16,17)/t10-/m0/s1
InChIKey	InChI	1.03	RGWBBKVQKPJVGW-JTQLQIEISA-N
SMILES_CANONICAL	CACTVS	3.385	CN(O)C(=O)C[C@@H](C[P](O)(O)=O)c1ccccc1
SMILES	CACTVS	3.385	CN(O)C(=O)C[CH](C[P](O)(O)=O)c1ccccc1
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O
SMILES	OpenEye OEToolkits	1.9.2	CN(C(=O)CC(CP(=O)(O)O)c1ccccc1)O

219140

PDB entries from 2024-05-01

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