Chemical Components in the PDB

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5H : Summary

Code

5H

One-letter code

X

Molecule name

5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-[(5R)-5-(4-bromobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzenesulfonamide
OpenEye OEToolkits 1.5.0 N-[(5R)-5-[(4-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide

Formula

C16 H13 Br N2 O3 S3

Formal charge

0

Molecular weight

457.385 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(NN1C(=O)C(SC1=S)Cc2ccc(Br)cc2)c3ccccc3
SMILES CACTVS 3.341 Brc1ccc(C[CH]2SC(=S)N(N[S](=O)(=O)c3ccccc3)C2=O)cc1
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)S(=O)(=O)NN2C(=O)C(SC2=S)Cc3ccc(cc3)Br
Canonical SMILES CACTVS 3.341 Brc1ccc(C[C@H]2SC(=S)N(N[S](=O)(=O)c3ccccc3)C2=O)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(cc3)Br

IUPAC InChI

InChI=1S/C16H13BrN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-9,14,18H,10H2/t14-/m1/s1

IUPAC InChI key

ZUOVUVKEEZXELB-CQSZACIVSA-N
5H

wwPDB Information

Atom count

38 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-09-22

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned