Chemical Components in the PDB

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CVO : Summary

Code

CVO

One-letter code

X

Molecule name

piperidin-4-ylmethyl 4-(aminomethyl)-4-fluoranyl-piperidine-1-carboxylate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 piperidin-4-ylmethyl 4-(aminomethyl)-4-fluoranyl-piperidine-1-carboxylate

Formula

C13 H24 F N3 O2

Formal charge

0

Molecular weight

273.347 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NCC1(F)CCN(CC1)C(=O)OCC2CCNCC2
SMILES OpenEye OEToolkits 2.0.7 C1CNCCC1COC(=O)N2CCC(CC2)(CN)F
Canonical SMILES CACTVS 3.385 NCC1(F)CCN(CC1)C(=O)OCC2CCNCC2
Canonical SMILES OpenEye OEToolkits 2.0.7 C1CNCCC1COC(=O)N2CCC(CC2)(CN)F

IUPAC InChI

InChI=1S/C13H24FN3O2/c14-13(10-15)3-7-17(8-4-13)12(18)19-9-11-1-5-16-6-2-11/h11,16H,1-10,15H2

IUPAC InChI key

DOWIQGRBTWGHLC-UHFFFAOYSA-N
CVO

wwPDB Information

Atom count

43 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-05-20

Last modified at

2020-05-15

Status

Released

Obsoleted

Not Assigned