Chemical Components in the PDB

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J7H : Summary

Code

J7H

One-letter code

X

Molecule name

(2~{R})-2-azanyl-2-methyl-heptanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R})-2-azanyl-2-methyl-heptanoic acid

Formula

C8 H17 N O2

Formal charge

0

Molecular weight

159.226 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCC[C](C)(N)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CCCCCC(C)(C(=O)O)N
Canonical SMILES CACTVS 3.385 CCCCC[C@@](C)(N)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCC[C@](C)(C(=O)O)N

IUPAC InChI

InChI=1S/C8H17NO2/c1-3-4-5-6-8(2,9)7(10)11/h3-6,9H2,1-2H3,(H,10,11)/t8-/m1/s1

IUPAC InChI key

HENXVCQQPFPENU-MRVPVSSYSA-N
J7H

wwPDB Information

Atom count

28 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

D-peptide linking

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2019-02-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned