Chemical Components in the PDB

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ISU : Summary

Code

ISU

One-letter code

X

Molecule name

SE-ETHYL-ISOSELENOUREA

Systematic names

ProgramVersionName
ACDLabs 10.04 ethyl imidoselenocarbamate
OpenEye OEToolkits 1.5.0 ethylselanylmethanimidamide

Formula

C3 H8 N2 Se

Formal charge

0

Molecular weight

151.069 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [N@H]=C([Se]CC)N
SMILES CACTVS 3.341 CC[Se]C(N)=N
SMILES OpenEye OEToolkits 1.5.0 [H]N=C(N)[Se]CC
Canonical SMILES CACTVS 3.341 CC[Se]C(N)=N
Canonical SMILES OpenEye OEToolkits 1.5.0 [H]/N=C(/N)\[Se]CC

IUPAC InChI

InChI=1S/C3H8N2Se/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)

IUPAC InChI key

FFKYNFXDBBLWGF-UHFFFAOYSA-N
ISU

wwPDB Information

Atom count

14 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-28

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned