Chemical Components in the PDB

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WLU : Summary

Code

WLU

One-letter code

L

Molecule name

(4R)-5-hydroxy-N-methyl-L-leucine

Systematic names

ProgramVersionName
ACDLabs 12.01 (4R)-5-hydroxy-N-methyl-L-leucine
OpenEye OEToolkits 1.7.6 (2S,4R)-4-methyl-2-(methylamino)-5-oxidanyl-pentanoic acid

Formula

C7 H15 N O3

Formal charge

0

Molecular weight

161.199 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(NC)CC(C)CO
SMILES CACTVS 3.370 CN[CH](C[CH](C)CO)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CC(CC(C(=O)O)NC)CO
Canonical SMILES CACTVS 3.370 CN[C@@H](C[C@@H](C)CO)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C[C@H](C[C@@H](C(=O)O)NC)CO

IUPAC InChI

InChI=1S/C7H15NO3/c1-5(4-9)3-6(8-2)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1

IUPAC InChI key

CVXBLRFZEQMDMI-RITPCOANSA-N
WLU

wwPDB Information

Atom count

26 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

LEU

Defined at

2013-06-18

Last modified at

2013-09-13

Status

Released

Obsoleted

Not Assigned