Chemical Components in the PDB

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0JY : Summary

Code

0JY

One-letter code

X

Molecule name

4-methyl-L-leucine

Systematic names

ProgramVersionName
ACDLabs 12.01 4-methyl-L-leucine
OpenEye OEToolkits 1.7.6 (2S)-2-azanyl-4,4-dimethyl-pentanoic acid

Formula

C7 H15 N O2

Formal charge

0

Molecular weight

145.2 Da

SMILES

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

IUPAC InChI

InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1

IUPAC InChI key

LPBSHGLDBQBSPI-YFKPBYRVSA-N
0JY

wwPDB Information

Atom count

25 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-08-16

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned