Experiment no.

: 1 Date :31/08/2017

TITLE: Draw the structure of L-Alanine & L-Isoleucine. And Predict the 1H-NMR of
them.

Used Software: ChemDraw ultra 8.0

Os: Windows 8.1

A. L-Alanine: -

1. Drawing of Structure:

Procedure:

The following steps were followed to draw the structure of the mentioned peptide linkage.

Open ChemDraw ultra 8.0 →Draw structure →Select structure →Object →Apply object
settings from →ACS document 1996 →Paste.

STRUCTURE

H CH3

OH
H2N

L-Alanine

2. Prediction of 1H-NMR:

Procedure:
The following steps were followed to predict the structure of the mentioned peptide linkage.

Select structure →Structure →Predict 1H-NMR shifts →Note data.

1
H-NMR :

3.67 1.23
H
11.0
OH
H2N
2.0

O
1
H-NMR of L-Alanine
1
H-NMR spectrum:

10 8 6 4 2 0
PPM

1
H-NMR Data Table:

Types of Proton Chemical shift (  ppm) Multiplicity

Carboxylic acid proton 11.0 Singlet
Amine proton (-NH2) 2.0 Singlet
Methyl proton (-CH3) 1.23 Doublet
Hydrogen (-H) 3.67 Quartet
B. L-Isoleucine:-

2. Drawing of Structure:

Procedure:
The following steps were followed to draw the structure of the mentioned
peptide linkage.

Open ChemDraw ultra 8.0 →Draw structure →Select structure →Object →Apply object
settings from →ACS document 1996 →Paste.

STRUCTURE

NH2

OH
H3C

CH3 O

L-Isoleucine

3. Prediction of 1H-NMR:

Procedure:

The following steps were followed to predict the structure of the mentioned peptide linkage.

Select structure →Structure →Predict 1H-NMR shifts →Note data.

1
H-NMR:

2.0
NH2
1.29
11.0
2.21 OH
3.48
0.96

O
1.06

1
H-NMR L-Isoleucine

1
H-NMR spectrum:
 10 8 6 4 2 0
PPM
1
H-NMR Data:

Types of Proton Chemical shift (  ppm) Multiplicity

Carboxylic acid proton 11.0 Singlet
Amine proton 2.0 Singlet
α-Methine proton 3.48 Doublet
β-Methine proton 2.21 Quartet
Methylene proton 1.29 Pentet
Methyl proton 1.06 Doublet
Methylproton 0.96 Triplet