Chemical Components in the PDB

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U6X : Summary

Code

U6X

One-letter code

X

Molecule name

Levosulpiride

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-[[(2~{S})-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoyl-benzamide

Formula

C15 H23 N3 O4 S

Formal charge

0

Molecular weight

341.426 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCN1CCC[CH]1CNC(=O)c2cc(ccc2OC)[S](N)(=O)=O
SMILES OpenEye OEToolkits 2.0.7 CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 CCN1CCC[C@H]1CNC(=O)c2cc(ccc2OC)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CCN1CCC[C@H]1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N

IUPAC InChI

InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1

IUPAC InChI key

BGRJTUBHPOOWDU-NSHDSACASA-N
U6X

wwPDB Information

Atom count

46 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-05-19

Last modified at

2024-05-10

Status

Released

Obsoleted

Not Assigned