Chemical Components in the PDB

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MK8 : Summary

Code

MK8

One-letter code

L

Molecule name

2-methyl-L-norleucine

Systematic names

ProgramVersionName
ACDLabs 12.01 2-methyl-L-norleucine
OpenEye OEToolkits 1.7.0 (2S)-2-azanyl-2-methyl-hexanoic acid

Formula

C7 H15 N O2

Formal charge

0

Molecular weight

145.199 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)(CCCC)C
SMILES CACTVS 3.370 CCCC[C](C)(N)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 CCCCC(C)(C(=O)O)N
Canonical SMILES CACTVS 3.370 CCCC[C@](C)(N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 CCCC[C@@](C)(C(=O)O)N

IUPAC InChI

InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1

IUPAC InChI key

LKZQHZQXROBVOO-ZETCQYMHSA-N
MK8

wwPDB Information

Atom count

25 (10 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

LEU

Defined at

2010-04-16

Last modified at

2017-03-01

Status

Released

Obsoleted

Not Assigned