Chemical Components in the PDB

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FVK : Summary

Code

FVK

One-letter code

X

Molecule name

~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide

Formula

C16 H25 N3 O5

Formal charge

0

Molecular weight

339.387 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[CH](CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2
SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1O)OCC(CNCCNC(=O)N2CCOCC2)O
Canonical SMILES CACTVS 3.385 O[C@@H](CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1O)OC[C@H](CNCCNC(=O)N2CCOCC2)O

IUPAC InChI

InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)/t14-/m0/s1

IUPAC InChI key

DXPOSRCHIDYWHW-AWEZNQCLSA-N
FVK

wwPDB Information

Atom count

49 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-07-31

Last modified at

2018-10-12

Status

Released

Obsoleted

Not Assigned