Chemical Components in the PDB

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G1T : Summary

Code

G1T

One-letter code

X

Molecule name

8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one

Formula

C14 H14 F3 N3 O2 S

Formal charge

0

Molecular weight

345.34 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 ONc1cc(cc2C(=O)N=C(Sc12)N3CCCCC3)C(F)(F)F
SMILES OpenEye OEToolkits 2.0.6 c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F
Canonical SMILES CACTVS 3.385 ONc1cc(cc2C(=O)N=C(Sc12)N3CCCCC3)C(F)(F)F
Canonical SMILES OpenEye OEToolkits 2.0.6 c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F

IUPAC InChI

InChI=1S/C14H14F3N3O2S/c15-14(16,17)8-6-9-11(10(7-8)19-22)23-13(18-12(9)21)20-4-2-1-3-5-20/h6-7,19,22H,1-5H2

IUPAC InChI key

NFTFZGDVDRYPDT-UHFFFAOYSA-N
G1T

wwPDB Information

Atom count

37 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-08-22

Last modified at

2018-09-14

Status

Released

Obsoleted

Not Assigned