Chemical Components in the PDB

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5YH : Summary

Code

5YH

One-letter code

X

Molecule name

1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1-[(2~{R})-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one

Formula

C18 H17 F2 N3 O2

Formal charge

0

Molecular weight

345.343 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[CH](CN1CCNC1=O)Cn2c3ccc(F)cc3c4cc(F)ccc24
SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1F)c3cc(ccc3n2CC(CN4CCNC4=O)O)F
Canonical SMILES CACTVS 3.385 O[C@@H](CN1CCNC1=O)Cn2c3ccc(F)cc3c4cc(F)ccc24
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1F)c3cc(ccc3n2C[C@H](CN4CCNC4=O)O)F

IUPAC InChI

InChI=1S/C18H17F2N3O2/c19-11-1-3-16-14(7-11)15-8-12(20)2-4-17(15)23(16)10-13(24)9-22-6-5-21-18(22)25/h1-4,7-8,13,24H,5-6,9-10H2,(H,21,25)/t13-/m0/s1

IUPAC InChI key

MUVYYQQLOKRDQS-ZDUSSCGKSA-N
5YH

wwPDB Information

Atom count

42 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-08-25

Last modified at

2022-08-19

Status

Released

Obsoleted

Not Assigned