Chemical Components in the PDB

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LA2 : Summary

Code

LA2

One-letter code

K

Molecule name

N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine

Systematic names

ProgramVersionName
ACDLabs 10.04 N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-6-[[(6R)-6,8-bis-sulfanyloctanoyl]amino]hexanoic acid

Formula

C14 H28 N2 O3 S2

Formal charge

0

Molecular weight

336.514 Da

SMILES

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

IUPAC InChI

InChI=1S/C14H28N2O3S2/c15-12(14(18)19)6-3-4-9-16-13(17)7-2-1-5-11(21)8-10-20/h11-12,20-21H,1-10,15H2,(H,16,17)(H,18,19)/t11-,12+/m1/s1

IUPAC InChI key

AYZPHCCEYJWVJC-NEPJUHHUSA-N
LA2

wwPDB Information

Atom count

49 (21 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

2008-04-16

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned