Chemical Components in the PDB

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ELY : Summary

Code

ELY

One-letter code

K

Molecule name

N~6~,N~6~-diethyl-L-lysine

Systematic names

ProgramVersionName
ACDLabs 12.01 N~6~,N~6~-diethyl-L-lysine
OpenEye OEToolkits 2.0.7 (2~{S})-2-azanyl-6-(diethylamino)hexanoic acid

Formula

C10 H22 N2 O2

Formal charge

0

Molecular weight

202.294 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(=O)(C(N)CCCCN(CC)CC)O
SMILES CACTVS 3.385 CCN(CC)CCCC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CCN(CC)CCCCC(C(=O)O)N
Canonical SMILES CACTVS 3.385 CCN(CC)CCCC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CCN(CC)CCCC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C10H22N2O2/c1-3-12(4-2)8-6-5-7-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1

IUPAC InChI key

LBVIZDDNHRTLPY-VIFPVBQESA-N
ELY

wwPDB Information

Atom count

36 (14 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

2011-03-25

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned