Chemical Components in the PDB

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EZW : Summary

Code

EZW

One-letter code

X

Molecule name

5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate

Systematic names

Not Assigned

Formula

C27 H18 N2 O3

Formal charge

0

Molecular weight

418.443 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)OC1=C(Oc2cc3ccccc3cc2n4cccc14)c5cccc6ncccc56
SMILES OpenEye OEToolkits 2.0.6 CC(=O)OC1=C(Oc2cc3ccccc3cc2-n4c1ccc4)c5cccc6c5cccn6
Canonical SMILES CACTVS 3.385 CC(=O)OC1=C(Oc2cc3ccccc3cc2n4cccc14)c5cccc6ncccc56
Canonical SMILES OpenEye OEToolkits 2.0.6 CC(=O)OC1=C(Oc2cc3ccccc3cc2-n4c1ccc4)c5cccc6c5cccn6

IUPAC InChI

InChI=1S/C27H18N2O3/c1-17(30)31-27-23-12-6-14-29(23)24-15-18-7-2-3-8-19(18)16-25(24)32-26(27)21-9-4-11-22-20(21)10-5-13-28-22/h2-16H,1H3

IUPAC InChI key

HVSMPYIXZQQOJE-UHFFFAOYSA-N
EZW

wwPDB Information

Atom count

50 (32 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-05-16

Last modified at

2018-11-30

Status

Released

Obsoleted

Not Assigned