Chemical Components in the PDB

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GHK : Summary

Code

GHK

One-letter code

X

Molecule name

4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide

Formula

C15 H14 N2 O4 S2

Formal charge

0

Molecular weight

350.413 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(cc1)C#CCN[S](=O)(=O)c2ccccc2
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(cc1)C#CCN[S](=O)(=O)c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)N

IUPAC InChI

InChI=1S/C15H14N2O4S2/c16-22(18,19)14-10-8-13(9-11-14)5-4-12-17-23(20,21)15-6-2-1-3-7-15/h1-3,6-11,17H,12H2,(H2,16,18,19)

IUPAC InChI key

CJZQAMWVHGWYBU-UHFFFAOYSA-N
GHK

wwPDB Information

Atom count

37 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-09-17

Last modified at

2018-12-21

Status

Released

Obsoleted

Not Assigned