Chemical Components in the PDB

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DLE : Summary

Code

DLE

One-letter code

L

Molecule name

D-LEUCINE

Systematic names

ProgramVersionName
ACDLabs 10.04 D-leucine
OpenEye OEToolkits 1.5.0 (2R)-2-amino-4-methyl-pentanoic 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)CC(C)C
SMILES CACTVS 3.341 CC(C)C[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(C)CC(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/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1

IUPAC InChI key

ROHFNLRQFUQHCH-RXMQYKEDSA-N

Is part of

0FG , 21U , 31U , E69 , M34 , TIF
DLE

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

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned