Chemical Components in the PDB

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3IZ : Summary

Code

3IZ

One-letter code

X

Molecule name

(2~{R})-1-[(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R})-1-[(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine

Formula

C12 H27 N O4

Formal charge

0

Molecular weight

249.347 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COCCOC[CH](C)OC[CH](C)OC[CH](C)N
SMILES OpenEye OEToolkits 2.0.7 CC(COC(C)COC(C)COCCOC)N
Canonical SMILES CACTVS 3.385 COCCOC[C@@H](C)OC[C@@H](C)OC[C@@H](C)N
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H](CO[C@H](C)CO[C@H](C)COCCOC)N

IUPAC InChI

InChI=1S/C12H27NO4/c1-10(13)7-16-12(3)9-17-11(2)8-15-6-5-14-4/h10-12H,5-9,13H2,1-4H3/t10-,11-,12-/m1/s1

IUPAC InChI key

JAVLCTSZYWYEEE-IJLUTSLNSA-N
3IZ

wwPDB Information

Atom count

44 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-06-26

Last modified at

2021-11-26

Status

Released

Obsoleted

Not Assigned