Chemical Components in the PDB

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FR6 : Summary

Code

FR6

One-letter code

X

Molecule name

1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE

Synonyms

FR233623

Systematic names

ProgramVersionName
ACDLabs 10.04 1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)propyl]-1H-imidazole-4-carboxamide
OpenEye OEToolkits 1.5.0 1-[(3R,4S)-4-hydroxy-1-naphthalen-1-yl-pentan-3-yl]imidazole-4-carboxamide

Formula

C19 H21 N3 O2

Formal charge

0

Molecular weight

323.389 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c1ncn(c1)C(C(O)C)CCc3c2ccccc2ccc3)N
SMILES CACTVS 3.341 C[CH](O)[CH](CCc1cccc2ccccc12)n3cnc(c3)C(N)=O
SMILES OpenEye OEToolkits 1.5.0 CC(C(CCc1cccc2c1cccc2)n3cc(nc3)C(=O)N)O
Canonical SMILES CACTVS 3.341 C[C@H](O)[C@@H](CCc1cccc2ccccc12)n3cnc(c3)C(N)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@H]([C@@H](CCc1cccc2c1cccc2)n3cc(nc3)C(=O)N)O

IUPAC InChI

InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1

IUPAC InChI key

OODDZQQDDOVCFD-SCLBCKFNSA-N
FR6

wwPDB Information

Atom count

45 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-12-16

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned