Chemical Components in the PDB

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G6L : Summary

Code

G6L

One-letter code

X

Molecule name

(6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (6~{S})-~{N}6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

Formula

C10 H17 N3 S

Formal charge

0

Molecular weight

211.327 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCN[CH]1CCc2nc(N)sc2C1
SMILES OpenEye OEToolkits 2.0.7 CCCNC1CCc2c(sc(n2)N)C1
Canonical SMILES CACTVS 3.385 CCCN[C@H]1CCc2nc(N)sc2C1
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCN[C@H]1CCc2c(sc(n2)N)C1

IUPAC InChI

InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1

IUPAC InChI key

FASDKYOPVNHBLU-ZETCQYMHSA-N
G6L

wwPDB Information

Atom count

31 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-07-31

Last modified at

2021-03-05

Status

Released

Obsoleted

Not Assigned