Chemical Components in the PDB

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DI9 : Summary

Code

DI9

One-letter code

X

Molecule name

DICYCLOPENTYL PHOSPHORAMIDATE

Systematic names

ProgramVersionName
ACDLabs 10.04 dicyclopentyl amidophosphate
OpenEye OEToolkits 1.5.0 (amino-cyclopentyloxy-phosphoryl)oxycyclopentane

Formula

C10 H20 N O3 P

Formal charge

0

Molecular weight

233.244 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OC1CCCC1)(OC2CCCC2)N
SMILES CACTVS 3.341 N[P](=O)(OC1CCCC1)OC2CCCC2
SMILES OpenEye OEToolkits 1.5.0 C1CCC(C1)OP(=O)(N)OC2CCCC2
Canonical SMILES CACTVS 3.341 N[P](=O)(OC1CCCC1)OC2CCCC2
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CCC(C1)OP(=O)(N)OC2CCCC2

IUPAC InChI

InChI=1S/C10H20NO3P/c11-15(12,13-9-5-1-2-6-9)14-10-7-3-4-8-10/h9-10H,1-8H2,(H2,11,12)

IUPAC InChI key

BDYGAPLPLXNVSE-UHFFFAOYSA-N
DI9

wwPDB Information

Atom count

35 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-06-09

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned