Chemical Components in the PDB

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2OY : Summary

Code

2OY

One-letter code

X

Molecule name

N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (Bound Form)

Synonyms

Tosyllysine Chloromethyl Ketone (Bound Form)

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide
OpenEye OEToolkits 1.7.6 N-[(2S,3S)-7-azanyl-1-chloranyl-2-oxidanyl-heptan-3-yl]-4-methyl-benzenesulfonamide

Formula

C14 H23 Cl N2 O3 S

Formal charge

0

Molecular weight

334.862 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(NC(CCCCN)C(O)CCl)c1ccc(cc1)C
SMILES CACTVS 3.385 Cc1ccc(cc1)[S](=O)(=O)N[CH](CCCCN)[CH](O)CCl
SMILES OpenEye OEToolkits 1.7.6 Cc1ccc(cc1)S(=O)(=O)NC(CCCCN)C(CCl)O
Canonical SMILES CACTVS 3.385 Cc1ccc(cc1)[S](=O)(=O)N[C@@H](CCCCN)[C@H](O)CCl
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)[C@@H](CCl)O

IUPAC InChI

InChI=1S/C14H23ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13-14,17-18H,2-4,9-10,16H2,1H3/t13-,14+/m0/s1

IUPAC InChI key

HBYAITRXPLQDLO-UONOGXRCSA-N

Has sub-components

TSU , LYJ , 0QE
2OY

wwPDB Information

Atom count

44 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-12-19

Last modified at

2014-04-18

Status

Released

Obsoleted

Not Assigned