Chemical Components in the PDB

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56V : Summary

Code

56V

One-letter code

X

Molecule name

(3R)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 (3R)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol
OpenEye OEToolkits 1.9.2 (1R)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ol

Formula

C9 H8 N2 O S

Formal charge

0

Molecular weight

192.238 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c2c1nc3SCC(n3c1ccc2)O
SMILES CACTVS 3.385 O[CH]1CSc2nc3ccccc3n12
SMILES OpenEye OEToolkits 1.9.2 c1ccc2c(c1)nc3n2C(CS3)O
Canonical SMILES CACTVS 3.385 O[C@@H]1CSc2nc3ccccc3n12
Canonical SMILES OpenEye OEToolkits 1.9.2 c1ccc2c(c1)nc3n2[C@@H](CS3)O

IUPAC InChI

InChI=1S/C9H8N2OS/c12-8-5-13-9-10-6-3-1-2-4-7(6)11(8)9/h1-4,8,12H,5H2/t8-/m1/s1

IUPAC InChI key

NRTXRMKJTFAUEX-MRVPVSSYSA-N
56V

wwPDB Information

Atom count

21 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-08-06

Last modified at

2016-07-29

Status

Released

Obsoleted

Not Assigned