Chemical Components in the PDB

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ZAB : Summary

Code

ZAB

One-letter code

X

Molecule name

(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (3-{(Z)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid
OpenEye OEToolkits 1.5.0 2-[3-[3-(aminomethyl)phenyl]diazenylphenyl]ethanoic acid

Formula

C15 H15 N3 O2

Formal charge

0

Molecular weight

269.299 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)Cc2cccc(\N=N/c1cccc(c1)CN)c2
SMILES CACTVS 3.341 NCc1cccc(c1)N=Nc2cccc(CC(O)=O)c2
SMILES OpenEye OEToolkits 1.5.0 c1cc(cc(c1)N=Nc2cccc(c2)CN)CC(=O)O
Canonical SMILES CACTVS 3.341 NCc1cccc(c1)N=Nc2cccc(CC(O)=O)c2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(cc(c1)N=Nc2cccc(c2)CN)CC(=O)O

IUPAC InChI

InChI=1S/C15H15N3O2/c16-10-12-4-2-6-14(8-12)18-17-13-5-1-3-11(7-13)9-15(19)20/h1-8H,9-10,16H2,(H,19,20)/b18-17-

IUPAC InChI key

RHNJRPYVLIXHAK-ZCXUNETKSA-N
ZAB

wwPDB Information

Atom count

35 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-06-01

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned