Chemical Components in the PDB

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A1D5B : Summary

Code

A1D5B

One-letter code

K

Molecule name

methyl (2~{S})-2,6-bis(azanyl)hexanoate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 methyl (2~{S})-2,6-bis(azanyl)hexanoate

Formula

C7 H16 N2 O2

Formal charge

0

Molecular weight

160.214 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COC(=O)[CH](N)CCCCN
SMILES OpenEye OEToolkits 2.0.7 COC(=O)C(CCCCN)N
Canonical SMILES CACTVS 3.385 COC(=O)[C@@H](N)CCCCN
Canonical SMILES OpenEye OEToolkits 2.0.7 COC(=O)[C@H](CCCCN)N

IUPAC InChI

InChI=1S/C7H16N2O2/c1-11-7(10)6(9)4-2-3-5-8/h6H,2-5,8-9H2,1H3/t6-/m0/s1

IUPAC InChI key

KPNBUPJZFJCCIQ-LURJTMIESA-N
A1D5B

wwPDB Information

Atom count

27 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

2024-01-02

Last modified at

2024-06-28

Status

Released

Obsoleted

Not Assigned