Chemical Components in the PDB

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ZIZ : Summary

Code

ZIZ

One-letter code

X

Molecule name

N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide

Formula

C15 H21 I3 N6 O6

Formal charge

0

Molecular weight

762.077 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 ICC(=O)NCC(=O)N1CN(CN(C1)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI
SMILES OpenEye OEToolkits 2.0.7 C1N(CN(CN1C(=O)CNC(=O)CI)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI
Canonical SMILES CACTVS 3.385 ICC(=O)NCC(=O)N1CN(CN(C1)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI
Canonical SMILES OpenEye OEToolkits 2.0.7 C1N(CN(CN1C(=O)CNC(=O)CI)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI

IUPAC InChI

InChI=1S/C15H21I3N6O6/c16-1-10(25)19-4-13(28)22-7-23(14(29)5-20-11(26)2-17)9-24(8-22)15(30)6-21-12(27)3-18/h1-9H2,(H,19,25)(H,20,26)(H,21,27)

IUPAC InChI key

NQXMSMNRHYWXDM-UHFFFAOYSA-N
ZIZ

wwPDB Information

Atom count

51 (30 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-06-26

Last modified at

2023-10-27

Status

Released

Obsoleted

Not Assigned