Chemical Components in the PDB

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KTP : Summary

Code

KTP

One-letter code

X

Molecule name

(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID

Synonyms

BIS-NAPTHYL BETA-KETOPHOSPHONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 [(1R)-1-naphthalen-1-yl-2-naphthalen-2-yl-2-oxoethyl]phosphonic acid
OpenEye OEToolkits 1.5.0 [(1R)-1-naphthalen-1-yl-2-naphthalen-2-yl-2-oxo-ethyl]phosphonic acid

Formula

C22 H17 O4 P

Formal charge

0

Molecular weight

376.342 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c2cc1ccccc1cc2)C(c4cccc3ccccc34)P(=O)(O)O
SMILES CACTVS 3.341 O[P](O)(=O)[CH](C(=O)c1ccc2ccccc2c1)c3cccc4ccccc34
SMILES OpenEye OEToolkits 1.5.0 c1ccc2cc(ccc2c1)C(=O)C(c3cccc4c3cccc4)P(=O)(O)O
Canonical SMILES CACTVS 3.341 O[P](O)(=O)[C@@H](C(=O)c1ccc2ccccc2c1)c3cccc4ccccc34
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2cc(ccc2c1)C(=O)[C@@H](c3cccc4c3cccc4)P(=O)(O)O

IUPAC InChI

InChI=1S/C22H17O4P/c23-21(18-13-12-15-6-1-2-8-17(15)14-18)22(27(24,25)26)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,22H,(H2,24,25,26)/t22-/m1/s1

IUPAC InChI key

OFHMUASCSJJNNA-JOCHJYFZSA-N
KTP

wwPDB Information

Atom count

44 (27 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-02-14

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned