Chemical Components in the PDB

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L5W : Summary

Code

L5W

One-letter code

X

Molecule name

~{N}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide

Formula

C8 H13 N O2

Formal charge

0

Molecular weight

155.194 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 ONC(=O)C12CCC(CC1)C2
SMILES OpenEye OEToolkits 2.0.7 C1CC2(CCC1C2)C(=O)NO
Canonical SMILES CACTVS 3.385 ONC(=O)C12CCC(CC1)C2
Canonical SMILES OpenEye OEToolkits 2.0.7 C1CC2(CCC1C2)C(=O)NO

IUPAC InChI

InChI=1S/C8H13NO2/c10-7(9-11)8-3-1-6(5-8)2-4-8/h6,11H,1-5H2,(H,9,10)/t6-,8-

IUPAC InChI key

AHBXSKNCOQIRKT-FKQCQYRASA-N
L5W

wwPDB Information

Atom count

24 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-07-23

Last modified at

2020-08-21

Status

Released

Obsoleted

Not Assigned