Chemical Components in the PDB

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E6W : Summary

Code

E6W

One-letter code

X

Molecule name

2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one

Formula

C16 H9 Br N2 O

Formal charge

0

Molecular weight

325.159 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Brc1[nH]c2c(ccc3C=NC(=O)c23)c1c4ccccc4
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)c2c3ccc4c(c3[nH]c2Br)C(=O)N=C4
Canonical SMILES CACTVS 3.385 Brc1[nH]c2c(ccc3C=NC(=O)c23)c1c4ccccc4
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)c2c3ccc4c(c3[nH]c2Br)C(=O)N=C4

IUPAC InChI

InChI=1S/C16H9BrN2O/c17-15-12(9-4-2-1-3-5-9)11-7-6-10-8-18-16(20)13(10)14(11)19-15/h1-8,19H

IUPAC InChI key

VKVBXHZFKDKMDA-UHFFFAOYSA-N
E6W

wwPDB Information

Atom count

29 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-02-21

Last modified at

2018-05-11

Status

Released

Obsoleted

Not Assigned