Chemical Components in the PDB

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HZW : Summary

Code

HZW

One-letter code

X

Molecule name

(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide

Formula

C18 H16 Cl F N2 O3

Formal charge

0

Molecular weight

362.783 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[C]1(CCN(C1=O)c2ccccc2)C(=O)NCc3cc(F)cc(Cl)c3
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)N2CCC(C2=O)(C(=O)NCc3cc(cc(c3)Cl)F)O
Canonical SMILES CACTVS 3.385 O[C@@]1(CCN(C1=O)c2ccccc2)C(=O)NCc3cc(F)cc(Cl)c3
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCc3cc(cc(c3)Cl)F)O

IUPAC InChI

InChI=1S/C18H16ClFN2O3/c19-13-8-12(9-14(20)10-13)11-21-16(23)18(25)6-7-22(17(18)24)15-4-2-1-3-5-15/h1-5,8-10,25H,6-7,11H2,(H,21,23)/t18-/m0/s1

IUPAC InChI key

GYXUHDDOWYYRFT-SFHVURJKSA-N
HZW

wwPDB Information

Atom count

41 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-01-08

Last modified at

2019-04-26

Status

Released

Obsoleted

Not Assigned