Chemical Components in the PDB

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0EH : Summary

Code

0EH

One-letter code

X

Molecule name

(2R)-2-amino-2-methylnonanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2-amino-2-methylnonanoic acid
OpenEye OEToolkits 1.7.6 (2R)-2-azanyl-2-methyl-nonanoic acid

Formula

C10 H21 N O2

Formal charge

0

Molecular weight

187.279 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)(CCCCCCC)C
SMILES CACTVS 3.370 CCCCCCC[C](C)(N)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CCCCCCCC(C)(C(=O)O)N
Canonical SMILES CACTVS 3.370 CCCCCCC[C@@](C)(N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CCCCCCC[C@](C)(C(=O)O)N

IUPAC InChI

InChI=1S/C10H21NO2/c1-3-4-5-6-7-8-10(2,11)9(12)13/h3-8,11H2,1-2H3,(H,12,13)/t10-/m1/s1

IUPAC InChI key

MLEJPUOWUJAQAF-SNVBAGLBSA-N
0EH

wwPDB Information

Atom count

34 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2011-12-26

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned