IUPAC name
(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoic acid
SMILES
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Compound class
Antidotes; Dietary Supplements; Micronutrients; Supplements;
Therapeutic area
For nutritional supplementation, also for treating dietary shortage or imbalance.
Common name
Glutathione
IUPAC name
(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoic acid
SMILES
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
INCHI
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
FORMULA
C10H17N3O6S
Common name
Glutathione
IUPAC name
(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoic acid
Molecular weight
307.323
clogP
-1.372
clogS
-0.083
HBond Acceptor
6
HBond Donor
7
Total Polar Surface Area
197.62
Number of Rings
0
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00015 | acetamide |
|
NC(=O)C | 0.0460 |
| FDBF00026 | propanamide |
|
CCC(=O)N | 0.0148 |
| FDBF00027 | N-methylacetamide |
|
N(C(=O)C)C | 0.0175 |
| FDBF00031 | N-methylpropanamide |
|
N(C(=O)CC)C | 0.0069 |
| FDBF00099 | ethanethiol |
|
CCS | 0.0165 |
7 ,
1
