Chemical Components in the PDB

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10B : Summary

Code

10B

One-letter code

X

Molecule name

N-2-(biphenyl-4-ylsulfonyl)-N-2-(isopropyloxy)-acetohydroxamic acid

Synonyms

N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(propan-2-yloxy)glycinamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(propan-2-yloxy)glycinamide
OpenEye OEToolkits 1.7.6 N-oxidanyl-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]ethanamide

Formula

C17 H20 N2 O5 S

Formal charge

0

Molecular weight

364.416 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(N(OC(C)C)CC(=O)NO)c2ccc(c1ccccc1)cc2
SMILES CACTVS 3.370 CC(C)ON(CC(=O)NO)[S](=O)(=O)c1ccc(cc1)c2ccccc2
SMILES OpenEye OEToolkits 1.7.6 CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)c2ccccc2
Canonical SMILES CACTVS 3.370 CC(C)ON(CC(=O)NO)[S](=O)(=O)c1ccc(cc1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)c2ccccc2

IUPAC InChI

InChI=1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20)

IUPAC InChI key

PHGLPDURIUEELR-UHFFFAOYSA-N
10B

wwPDB Information

Atom count

45 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-09-18

Last modified at

2013-04-19

Status

Released

Obsoleted

Not Assigned