Chemical Components in the PDB

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OHL : Summary

Code

OHL

One-letter code

X

Molecule name

N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide

Synonyms

N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide
OpenEye OEToolkits 1.7.2 2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-oxidanyl-ethanamide

Formula

C15 H17 N3 O5 S

Formal charge

0

Molecular weight

351.378 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(N(Cc1ccncc1)CC(=O)NO)c2ccc(OC)cc2
SMILES CACTVS 3.370 COc1ccc(cc1)[S](=O)(=O)N(CC(=O)NO)Cc2ccncc2
SMILES OpenEye OEToolkits 1.7.2 COc1ccc(cc1)S(=O)(=O)N(Cc2ccncc2)CC(=O)NO
Canonical SMILES CACTVS 3.370 COc1ccc(cc1)[S](=O)(=O)N(CC(=O)NO)Cc2ccncc2
Canonical SMILES OpenEye OEToolkits 1.7.2 COc1ccc(cc1)S(=O)(=O)[N@@](Cc2ccncc2)CC(=O)NO

IUPAC InChI

InChI=1S/C15H17N3O5S/c1-23-13-2-4-14(5-3-13)24(21,22)18(11-15(19)17-20)10-12-6-8-16-9-7-12/h2-9,20H,10-11H2,1H3,(H,17,19)

IUPAC InChI key

BWTYNJYIHZVAOW-UHFFFAOYSA-N
OHL

wwPDB Information

Atom count

41 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-08-20

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned