IUPAC name
(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-L-alanine
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCP(=O)(C)O)N
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
bilanafos
IUPAC name
(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-L-alanine
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCP(=O)(C)O)N
INCHI
InChI=1S/C11H22N3O6P/c1-6(9(15)14-7(2)11(17)18)13-10(16)8(12)4-5-21(3,19)20/h6-8H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H,19,20)/t6-,7-,8-/m0/s1
FORMULA
C11H22N3O6P
Common name
bilanafos
IUPAC name
(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-L-alanine
Molecular weight
323.283
clogP
-0.705
clogS
0.531
HBond Acceptor
8
HBond Donor
6
Total Polar Surface Area
165.8
Number of Rings
0
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF01073 | methylphosphonous acid |
|
P(O)(O)C | 0.0021 |
| FDBF01077 | dimethylphosphinic acid |
|
P(=O)(O)(C)C | 0.0017 |
| FDBF01080 | ethyl(methyl)phosphinic acid |
|
P(=O)(O)(C)CC | 0.0017 |
6 ,
1
