Chemical Components in the PDB

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1OU : Summary

Code

1OU

One-letter code

X

Molecule name

[(R)-amino(4-carbamimidamidophenyl)methyl]phosphonic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 [(R)-amino(4-carbamimidamidophenyl)methyl]phosphonic acid
OpenEye OEToolkits 1.7.6 [(R)-azanyl-(4-carbamimidamidophenyl)methyl]phosphonic acid

Formula

C8 H13 N4 O3 P

Formal charge

0

Molecular weight

244.188 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)C(c1ccc(NC(=[N@H])N)cc1)N
SMILES CACTVS 3.370 N[CH](c1ccc(NC(N)=N)cc1)[P](O)(O)=O
SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1C(N)P(=O)(O)O)NC(=N)N
Canonical SMILES CACTVS 3.370 N[C@@H](c1ccc(NC(N)=N)cc1)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 [H]/N=C(/N)\Nc1ccc(cc1)[C@H](N)P(=O)(O)O

IUPAC InChI

InChI=1S/C8H13N4O3P/c9-7(16(13,14)15)5-1-3-6(4-2-5)12-8(10)11/h1-4,7H,9H2,(H4,10,11,12)(H2,13,14,15)/t7-/m1/s1

IUPAC InChI key

BSLYPYFABFFNHY-SSDOTTSWSA-N
1OU

wwPDB Information

Atom count

29 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-04-15

Last modified at

2013-06-07

Status

Released

Obsoleted

Not Assigned