C0K Ligand Summary Page - RCSB PDB

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228,227 Structures from the PDB 1,068,577 Computed Structure Models (CSM)

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Data API C0K

{(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid

Find entries where: C0K is present as a standalone ligand in 1 entriesFind related ligands:Similar Ligands (Stereospecific)Similar Ligands (including Stereoisomers)Similar Ligands (Quick Screen)Similar Ligands (Substructure Stereospecific)Similar Ligands (Substructure including Stereoisomers)Toggle HydrogenToggle Labels

Chemical Component Summary
Name	{(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid
Identifiers	[(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxo-butyl]phosphonic acid
Formula	C11 H14 F2 N O5 P
Molecular Weight	309.203
Type	NON-POLYMER
Isomeric SMILES	CN(C(=O)CC[C@@H](c1ccc(c(c1)F)F)P(=O)(O)O)O
InChI	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	IZWIBRNXHRUNKD-JTQLQIEISA-N

Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	6

Related Resource References

Resource Name	Reference
PubChem	53352196

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