Chemical Components in the PDB

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RF7 : Summary

Code

RF7

One-letter code

X

Molecule name

{(2R)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid

Systematic names

ProgramVersionName
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

Formula

C11 H16 N O5 P

Formal charge

0

Molecular weight

273.222 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)CC(c1ccccc1)CC(=O)N(O)C
SMILES CACTVS 3.385 CN(O)C(=O)C[CH](C[P](O)(O)=O)c1ccccc1
SMILES OpenEye OEToolkits 1.9.2 CN(C(=O)CC(CP(=O)(O)O)c1ccccc1)O
Canonical SMILES CACTVS 3.385 CN(O)C(=O)C[C@@H](C[P](O)(O)=O)c1ccccc1
Canonical SMILES OpenEye OEToolkits 1.9.2 CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O

IUPAC InChI

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

IUPAC InChI key

RGWBBKVQKPJVGW-JTQLQIEISA-N
RF7

wwPDB Information

Atom count

34 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-02-13

Last modified at

2015-03-27

Status

Released

Obsoleted

Not Assigned