Chemical Components in the PDB

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R5G : Summary

Code

R5G

One-letter code

X

Molecule name

N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide
OpenEye OEToolkits 2.0.7 ~{N}-oxidanyl-1-[[4-(oxidanylcarbamoyl)phenyl]methyl]indole-6-carboxamide

Formula

C17 H15 N3 O4

Formal charge

0

Molecular weight

325.319 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c2cc1c(cc(C(=O)NO)cc1)n2Cc3ccc(C(NO)=O)cc3
SMILES CACTVS 3.385 ONC(=O)c1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1Cn2ccc3c2cc(cc3)C(=O)NO)C(=O)NO
Canonical SMILES CACTVS 3.385 ONC(=O)c1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1Cn2ccc3c2cc(cc3)C(=O)NO)C(=O)NO

IUPAC InChI

InChI=1S/C17H15N3O4/c21-16(18-23)13-3-1-11(2-4-13)10-20-8-7-12-5-6-14(9-15(12)20)17(22)19-24/h1-9,23-24H,10H2,(H,18,21)(H,19,22)

IUPAC InChI key

IRJZGNPPEWBPKI-UHFFFAOYSA-N
R5G

wwPDB Information

Atom count

39 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-01-30

Last modified at

2020-05-08

Status

Released

Obsoleted

Not Assigned