Chemical Components in the PDB

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CLH : Summary

Code

CLH

One-letter code

K

Molecule name

2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-ACETYLAMINO]-HEXANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 N~6~-[N-(oxoacetyl)glycyl]-L-lysine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-6-[2-(oxaldehydoylamino)ethanoylamino]hexanoic acid

Formula

C10 H17 N3 O5

Formal charge

0

Molecular weight

259.259 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CC(=O)NCC(=O)NCCCCC(N)C(=O)O
SMILES CACTVS 3.341 N[CH](CCCCNC(=O)CNC(=O)C=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(CCNC(=O)CNC(=O)C=O)CC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](CCCCNC(=O)CNC(=O)C=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CCNC(=O)CNC(=O)C=O)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C10H17N3O5/c11-7(10(17)18)3-1-2-4-12-8(15)5-13-9(16)6-14/h6-7H,1-5,11H2,(H,12,15)(H,13,16)(H,17,18)/t7-/m0/s1

IUPAC InChI key

JGTOTYLLHQQHPV-ZETCQYMHSA-N
CLH

wwPDB Information

Atom count

35 (18 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

2001-10-05

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned