Chemical Components in the PDB

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2X0 : Summary

Code

2X0

One-letter code

X

Molecule name

[(1R)-1-amino-3-phenylpropyl]phosphonic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 [(1R)-1-amino-3-phenylpropyl]phosphonic acid
OpenEye OEToolkits 1.7.6 [(1R)-1-azanyl-3-phenyl-propyl]phosphonic acid

Formula

C9 H14 N O3 P

Formal charge

0

Molecular weight

215.186 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)C(N)CCc1ccccc1
SMILES CACTVS 3.385 N[CH](CCc1ccccc1)[P](O)(O)=O
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)CCC(N)P(=O)(O)O
Canonical SMILES CACTVS 3.385 N[C@@H](CCc1ccccc1)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)CC[C@H](N)P(=O)(O)O

IUPAC InChI

InChI=1S/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)/t9-/m1/s1

IUPAC InChI key

NAPHUBPIUWHFCT-SECBINFHSA-N
2X0

wwPDB Information

Atom count

28 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-03-26

Last modified at

2014-06-20

Status

Released

Obsoleted

Not Assigned