Chemical Components in the PDB

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TWP : Summary

Code

TWP

One-letter code

X

Molecule name

N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide
OpenEye OEToolkits 2.0.7 4-(indol-1-ylmethyl)-~{N}-oxidanyl-benzamide

Formula

C16 H14 N2 O2

Formal charge

0

Molecular weight

266.295 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c2cc1c(cccc1)n2Cc3ccc(C(NO)=O)cc3
SMILES CACTVS 3.385 ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)ccn2Cc3ccc(cc3)C(=O)NO
Canonical SMILES CACTVS 3.385 ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)ccn2Cc3ccc(cc3)C(=O)NO

IUPAC InChI

InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19)

IUPAC InChI key

SUWMPMSWSJBENV-UHFFFAOYSA-N
TWP

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-04-02

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned