IUPAC name
(1S,2S,3S,4R)-4-[(diaminomethylidene)amino]-3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylic acid
SMILES
CCC(CC)C(NC(C)=O)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O
Compound class
Antiviral Agents; Enzyme Inhibitors;
Therapeutic area
Investigated for use/treatment in influenza.
Common name
Peramivir
IUPAC name
(1S,2S,3S,4R)-4-[(diaminomethylidene)amino]-3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylic acid
SMILES
CCC(CC)C(NC(C)=O)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O
INCHI
InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12?,13+/m0/s1
FORMULA
C15H28N4O4
Common name
Peramivir
IUPAC name
(1S,2S,3S,4R)-4-[(diaminomethylidene)amino]-3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylic acid
Molecular weight
328.407
clogP
-0.324
clogS
-0.564
HBond Acceptor
5
HBond Donor
7
Total Polar Surface Area
151.03
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00027 | N-methylacetamide |
|
N(C(=O)C)C | 0.0175 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00125 | 3-methylpentane |
|
CCC(C)CC | 0.0024 |
| FDBF00228 | N-ethylacetamide |
|
C(=O)(NCC)C | 0.0089 |
| FDBF01994 | N-butylacetamide |
|
CCCCNC(=O)C | 0.0014 |
| FDBF03505 | (1S,2S,3R)-2-hydroxy-3-methyl-cyclopentanecarboxylic acid |
|
CC1C(C(CC1)C(=O)O)O | 0.0003 |
| FDBF03506 | (1S,2S,3R)-3-ethyl-2-hydroxy-cyclopentanecarboxylic acid |
|
CCC1C(C(CC1)C(=O)O)O | 0.0003 |
| FDBF03507 | (1S,2S)-2-hydroxycyclopentanecarboxylic acid |
|
OC1CCCC1C(=O)O | 0.0003 |
