Chemical Components in the PDB

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34L : Summary

Code

34L

One-letter code

X

Molecule name

(8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one

Systematic names

ProgramVersionName
ACDLabs 12.01 (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one
OpenEye OEToolkits 1.7.6 (8Z)-8-(1H-imidazol-5-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one

Formula

C13 H8 N4 O S

Formal charge

0

Molecular weight

268.294 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C\1Nc4c(C/1=C\c2cncn2)c3scnc3cc4
SMILES CACTVS 3.385 O=C1Nc2ccc3ncsc3c2C1=Cc4[nH]cnc4
SMILES OpenEye OEToolkits 1.7.6 c1cc2c(c3c1ncs3)C(=Cc4cnc[nH]4)C(=O)N2
Canonical SMILES CACTVS 3.385 O=C1Nc2ccc3ncsc3c2/C1=C/c4[nH]cnc4
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc2c(c3c1ncs3)/C(=C/c4cnc[nH]4)/C(=O)N2

IUPAC InChI

InChI=1S/C13H8N4OS/c18-13-8(3-7-4-14-5-15-7)11-9(17-13)1-2-10-12(11)19-6-16-10/h1-6H,(H,14,15)(H,17,18)/b8-3-

IUPAC InChI key

VFBGXTUGODTSPK-BAQGIRSFSA-N
34L

wwPDB Information

Atom count

27 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-06-17

Last modified at

2015-06-26

Status

Released

Obsoleted

Not Assigned