Chemical Components in the PDB

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TLY : Summary

Code

TLY

One-letter code

K

Molecule name

(2S)-2-azanyl-6-(ethanethioylamino)hexanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 N~6~-ethanethioyl-L-lysine
OpenEye OEToolkits 1.7.0 (2S)-2-azanyl-6-(ethanethioylamino)hexanoic acid

Formula

C8 H16 N2 O2 S

Formal charge

0

Molecular weight

204.29 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)CCCCNC(=S)C
SMILES CACTVS 3.370 CC(=S)NCCCC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 CC(=S)NCCCCC(C(=O)O)N
Canonical SMILES CACTVS 3.370 CC(=S)NCCCC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(=S)NCCCC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C8H16N2O2S/c1-6(13)10-5-3-2-4-7(9)8(11)12/h7H,2-5,9H2,1H3,(H,10,13)(H,11,12)/t7-/m0/s1

IUPAC InChI key

SLVMGVMSUOULGW-ZETCQYMHSA-N
TLY

wwPDB Information

Atom count

29 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

2010-03-04

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned