Chemical Components in the PDB

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34T : Summary

Code

34T

One-letter code

X

Molecule name

(3R)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 (3R)-8-hydrosulfonyl-3-methyl-1,2,3,4-tetrahydroquinoline

Formula

C10 H13 N O2 S

Formal charge

0

Molecular weight

211.281 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 C[CH]1CNc2c(C1)cccc2[SH](=O)=O
SMILES OpenEye OEToolkits 1.6.1 CC1Cc2cccc(c2NC1)S(=O)=O
Canonical SMILES CACTVS 3.352 C[C@H]1CNc2c(C1)cccc2[SH](=O)=O
Canonical SMILES OpenEye OEToolkits 1.6.1 C[C@@H]1Cc2cccc(c2NC1)S(=O)=O

IUPAC InChI

InChI=1S/C10H13NO2S/c1-7-5-8-3-2-4-9(14(12)13)10(8)11-6-7/h2-4,7,11,14H,5-6H2,1H3/t7-/m1/s1

IUPAC InChI key

VVVJJANGXMGMGC-SSDOTTSWSA-N

Is part of

MIT
34T

wwPDB Information

Atom count

27 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-10-31

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned