MLL

METHYL L-LEUCINATE

Created:2006-10-02
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count1
Bond Count24
Aromatic Bond Count0
2D diagram of MLL

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Chemical Component Summary

NameMETHYL L-LEUCINATE
Systematic Name (OpenEye OEToolkits)methyl (2S)-2-amino-4-methyl-pentanoate
FormulaC7 H15 N O2
Molecular Weight145.199
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC)C(N)CC(C)C
SMILESCACTVS3.341COC(=O)[CH](N)CC(C)C
SMILESOpenEye OEToolkits1.5.0CC(C)CC(C(=O)OC)N
Canonical SMILESCACTVS3.341 COC(=O)[C@@H](N)CC(C)C
Canonical SMILESOpenEye OEToolkits1.5.0 CC(C)C[C@@H](C(=O)OC)N
InChIInChI1.03 InChI=1S/C7H15NO2/c1-5(2)4-6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t6-/m0/s1
InChIKeyInChI1.03 QVDXUKJJGUSGLS-LURJTMIESA-N

Related Resource References

Resource NameReference
PubChem 65105
ChEMBL CHEMBL1229070
ChEBI CHEBI:44075
CCDC/CSD KOFCUG