Chemical Components in the PDB

pdbe.org/chem
spacer

LAY : Summary

Code

LAY

One-letter code

L

Molecule name

N-acetyl-L-leucine

Systematic names

ProgramVersionName
ACDLabs 12.01 N-acetyl-L-leucine
OpenEye OEToolkits 1.7.6 (2S)-2-acetamido-4-methyl-pentanoic acid

Formula

C8 H15 N O3

Formal charge

0

Molecular weight

173.21 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NC(C(=O)O)CC(C)C)C
SMILES CACTVS 3.385 CC(C)C[CH](NC(C)=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CC(C)CC(C(=O)O)NC(=O)C
Canonical SMILES CACTVS 3.385 CC(C)C[C@H](NC(C)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(C)C[C@@H](C(=O)O)NC(=O)C

IUPAC InChI

InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1

IUPAC InChI key

WXNXCEHXYPACJF-ZETCQYMHSA-N
LAY

wwPDB Information

Atom count

27 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

LEU

Defined at

2015-01-22

Last modified at

2019-05-06

Status

Released

Obsoleted

Not Assigned