Chemical Components in the PDB

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S5G : Summary

Code

S5G

One-letter code

X

Molecule name

(5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione

Formula

C6 H12 N2 O S2

Formal charge

0

Molecular weight

192.302 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN1C(=S)S[CH](NO)C1(C)C
SMILES OpenEye OEToolkits 2.0.6 CC1(C(SC(=S)N1C)NO)C
Canonical SMILES CACTVS 3.385 CN1C(=S)S[C@@H](NO)C1(C)C
Canonical SMILES OpenEye OEToolkits 2.0.6 CC1([C@@H](SC(=S)N1C)NO)C

IUPAC InChI

InChI=1S/C6H12N2OS2/c1-6(2)4(7-9)11-5(10)8(6)3/h4,7,9H,1-3H3/t4-/m1/s1

IUPAC InChI key

JXYKLMIZMNTBPT-SCSAIBSYSA-N
S5G

wwPDB Information

Atom count

23 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-04

Last modified at

2020-04-17

Status

Released

Obsoleted

Not Assigned