Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| March 13th, 2009 |
49 |
No
|
Other Names:
(2s)-N-[(2s,3r)-4-[(2s,3s,4as,8as)-3-(Tert-Butylcarbamoyl)-3,4,4a,5,6,7,8,8a-Octahydro-1h-Isoquinolin-2-Yl]-3-Hydroxy-1-Phenyl-Butan-2-Yl]-2-(Quinolin-2-Ylcarbonylamino)butanediamide
(2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
(3S-(2(1R*(R*),2S*),3I,4athetav,8athetav))-N(sup 1)-(3-(3-(((1,1-Dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)butanediamide; (S)-N-((IS)-I-((1R)-2-((3S,4aS,8aS)-3-(tert-Butylc
127779-20-8
1hxb
2fgu
2fgv
AB00514056
AC-16711
AC1L9ATC
AKOS000280831
Ambap127779-20-8
BIDD:GT0323
BIDD:PXR0010
BPBio1_001373
BRD-K09963420-066-03-4
BSPBio_001248
CHEBI:45279
CHEMBL114
CID441243
CIS-N-TERT-BUTYL-DECAHYDRO-2-[2(R)-HYDROXY-4-PHENYL-3(S)-[[N-2-QUINOLYLCARBONYL-L-ASPARAGINYL]AMINO]BUTYL]-(4AS)-ISOQUINOLINE-3(S)-CARBOXAMIDE
D00429
DAP000171
Fortovase
Fortovase (TN)
Fortovase(TM)
Invirase
Invirase(TM)(monomesylate)
LS-187081
MLS001195635
MLS001304735
MolPort-000-883-824
NCGC00091469-02
NSC722663
Prestwick0_001114
Prestwick1_001114
Prestwick2_001114
Prestwick3_001114
QNC-ASN-HPH-DIQ-NTB
Ro 31-8959
Ro 318959
Ro-31-8959
ROC
saguinavir
Saquinavir (JAN/USP/INN)
Saquinavir Mesylate
SMR000469157
SPBio_003114
SQV
Download:
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SDF
SMILES
Flexibase
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
4.26 |
8.92 |
-59.49 |
7 |
11 |
1 |
168 |
671.863 |
13 |
↓
|
Vendor Notes
No pre-computed analogs available. Try a structural similarity search.
