Chemical Components in the PDB

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GBG : Summary

Code

GBG

One-letter code

X

Molecule name

N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine

Systematic names

ProgramVersionName
ACDLabs 12.01 N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine
OpenEye OEToolkits 2.0.6 (2~{S})-2-azanyl-6-(2-chloranylethanimidoylamino)hexanoic acid

Formula

C8 H16 Cl N3 O2

Formal charge

0

Molecular weight

221.685 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(CC(N)C(O)=O)CCN/C(CCl)=N
SMILES CACTVS 3.385 N[CH](CCCCNC(=N)CCl)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 C(CCNC(=N)CCl)CC(C(=O)O)N
Canonical SMILES CACTVS 3.385 N[C@@H](CCCCNC(=N)CCl)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 [H]/N=C(\CCl)/NCCCC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C8H16ClN3O2/c9-5-7(11)12-4-2-1-3-6(10)8(13)14/h6H,1-5,10H2,(H2,11,12)(H,13,14)/t6-/m0/s1

IUPAC InChI key

MVFMGXXYJDHANY-LURJTMIESA-N
GBG

wwPDB Information

Atom count

30 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-05-18

Last modified at

2018-07-20

Status

Released

Obsoleted

Not Assigned