Chemical Components in the PDB

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LPM : Summary

Code

LPM

One-letter code

X

Molecule name

6,8-DIMERCAPTO-OCTANOIC ACID AMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 (6R)-6,8-disulfanyloctanamide
OpenEye OEToolkits 1.5.0 (6R)-6,8-bis-sulfanyloctanamide

Formula

C8 H17 N O S2

Formal charge

0

Molecular weight

207.357 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(N)CCCCC(S)CCS
SMILES CACTVS 3.341 NC(=O)CCCC[CH](S)CCS
SMILES OpenEye OEToolkits 1.5.0 C(CCC(=O)N)CC(CCS)S
Canonical SMILES CACTVS 3.341 NC(=O)CCCC[C@@H](S)CCS
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CCC(=O)N)C[C@H](CCS)S

IUPAC InChI

InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)/t7-/m1/s1

IUPAC InChI key

VLYUGYAKYZETRF-SSDOTTSWSA-N
LPM

wwPDB Information

Atom count

29 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned