Chemical Components in the PDB

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TDD : Summary

Code

TDD

One-letter code

L

Molecule name

(2R)-2-amino-3,3-dimethyl-butanoic acid

Synonyms

D-tert-leucine

Systematic names

ProgramVersionName
ACDLabs 10.04 3-methyl-D-valine
OpenEye OEToolkits 1.5.0 (2R)-2-amino-3,3-dimethyl-butanoic acid

Formula

C6 H13 N O2

Formal charge

0

Molecular weight

131.173 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1

IUPAC InChI key

NPDBDJFLKKQMCM-BYPYZUCNSA-N
TDD

wwPDB Information

Atom count

22 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

D-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

LEU

Defined at

2008-06-02

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned