Chemical Components in the PDB

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17C : Summary

Code

17C

One-letter code

X

Molecule name

2,2'-iminodibenzoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 2,2'-iminodibenzoic acid
OpenEye OEToolkits 1.7.0 2-[(2-carboxyphenyl)amino]benzoic acid

Formula

C14 H11 N O4

Formal charge

0

Molecular weight

257.241 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)c2c(Nc1ccccc1C(=O)O)cccc2
SMILES CACTVS 3.370 OC(=O)c1ccccc1Nc2ccccc2C(O)=O
SMILES OpenEye OEToolkits 1.7.0 c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)c1ccccc1Nc2ccccc2C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O

IUPAC InChI

InChI=1S/C14H11NO4/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)

IUPAC InChI key

ZFRNOTZQUGWMQN-UHFFFAOYSA-N
17C

wwPDB Information

Atom count

30 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-02-18

Last modified at

2012-08-17

Status

Released

Obsoleted

Not Assigned