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Summary Geometry Related PDB entries

C0K

Summary

Name:	{(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid
Formula:	C11 H14 F2 N O5 P
Formal charge:	0
Formula weight:	309.203 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	{(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid
OpenEye OEToolkits	1.7.0	[(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxo-butyl]phosphonic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(cc1F)C(CCC(=O)N(O)C)P(=O)(O)O
SMILES_CANONICAL	CACTVS	3.370	CN(O)C(=O)CC[C@@H](c1ccc(F)c(F)c1)[P](O)(O)=O
SMILES	CACTVS	3.370	CN(O)C(=O)CC[CH](c1ccc(F)c(F)c1)[P](O)(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CN(C(=O)CC[C@@H](c1ccc(c(c1)F)F)P(=O)(O)O)O
SMILES	OpenEye OEToolkits	1.7.0	CN(C(=O)CCC(c1ccc(c(c1)F)F)P(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C11H14F2NO5P/c1-14(16)11(15)5-4-10(20(17,18)19)7-2-3-8(12)9(13)6-7/h2-3,6,10,16H,4-5H2,1H3,(H2,17,18,19)/t10-/m0/s1
InChIKey	InChI	1.03	IZWIBRNXHRUNKD-JTQLQIEISA-N

218853

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