Chemical Components in the PDB

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B0G : Summary

Code

B0G

One-letter code

X

Molecule name

(phenylmethyl) 4-oxidanylpiperidine-1-carboxylate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (phenylmethyl) 4-oxidanylpiperidine-1-carboxylate

Formula

C13 H17 N O3

Formal charge

0

Molecular weight

235.279 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC1CCN(CC1)C(=O)OCc2ccccc2
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)COC(=O)N2CCC(CC2)O
Canonical SMILES CACTVS 3.385 OC1CCN(CC1)C(=O)OCc2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)COC(=O)N2CCC(CC2)O

IUPAC InChI

InChI=1S/C13H17NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2

IUPAC InChI key

JKIUUDJOCYHIGY-UHFFFAOYSA-N
B0G

wwPDB Information

Atom count

34 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-07-28

Last modified at

2018-08-03

Status

Released

Obsoleted

Not Assigned