Chemical Components in the PDB

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9E7 : Summary

Code

9E7

One-letter code

K

Molecule name

N~6~-(sulfanylmethyl)-L-lysine

Systematic names

ProgramVersionName
ACDLabs 12.01 N~6~-(sulfanylmethyl)-L-lysine
OpenEye OEToolkits 2.0.6 (2~{S})-2-azanyl-6-(sulfanylmethylamino)hexanoic acid

Formula

C7 H16 N2 O2 S

Formal charge

0

Molecular weight

192.279 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(O)(C(N)CCCCNCS)=O
SMILES CACTVS 3.385 N[CH](CCCCNCS)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 C(CCNCS)CC(C(=O)O)N
Canonical SMILES CACTVS 3.385 N[C@@H](CCCCNCS)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C(CCNCS)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C7H16N2O2S/c8-6(7(10)11)3-1-2-4-9-5-12/h6,9,12H,1-5,8H2,(H,10,11)/t6-/m0/s1

IUPAC InChI key

IEEWMGZMRLQVDH-LURJTMIESA-N
9E7

wwPDB Information

Atom count

28 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

2017-04-24

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned