Chemical Components in the PDB

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RZX : Summary

Code

RZX

One-letter code

X

Molecule name

2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole

Synonyms

Rabeprazole

Systematic names

ProgramVersionName
ACDLabs 12.01 2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole
OpenEye OEToolkits 1.7.0 2-[(R)-[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfinyl]-1H-benzimidazole

Formula

C18 H21 N3 O3 S

Formal charge

0

Molecular weight

359.443 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(c2nc1ccccc1n2)Cc3nccc(OCCCOC)c3C
SMILES CACTVS 3.370 COCCCOc1ccnc(C[S](=O)c2[nH]c3ccccc3n2)c1C
SMILES OpenEye OEToolkits 1.7.0 Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)OCCCOC
Canonical SMILES CACTVS 3.370 COCCCOc1ccnc(C[S@@](=O)c2[nH]c3ccccc3n2)c1C
Canonical SMILES OpenEye OEToolkits 1.7.0 Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCCCOC

IUPAC InChI

InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/t25-/m1/s1

IUPAC InChI key

YREYEVIYCVEVJK-RUZDIDTESA-N
RZX

wwPDB Information

Atom count

46 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-11-09

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned