SQ 32970
Basic information
- CAS
122280-12-0- Standard SMILES
CC(C)C[C@H](N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1)C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN- InChIKey
JMQBPRLPSMMFLV-VNDOHOEKSA-N- Molecular formula
- C33H51N5O4S
- Average molar mass
- 613.9 g/mol
- Monoisotopic mass
- 613.3661763
Overview
potent inhibitor of Endothia aspartic proteinase; structure given in first source
Names & identifiers
- Preferred name
- SQ 32970
- IUPAC
- (2S)-N-[(2S)-2-(6-aminohexanoylamino)-3-phenylpropanoyl]-2-[[(1R,2S)-3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]amino]-4-methylpentanamide
- English name
- SQ 32970
- Molecular formula
- C33H51N5O4S
- Molecular weight
- 613.86
Names & synonyms
122280-12-0SQ-32,970L-Leucinamide, N-(6-amino-1-oxohexyl)-L-phenylalanyl-N-(1-(cyclohexylmethyl)-2-hydroxy-2-(2-thiazolyl)ethyl)-, (R-(R*,S*))-RefChem:185126SQ 32970(2S)-N-[(2S)-2-(6-aminohexanoylamino)-3-phenylpropanoyl]-2-[[(1R,2S)-3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]amino]-4-methylpentanamideDTXSID509241266-Amino-N-[(2S)-1-{[(2S)-2-{[(1R,2S)-3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]amino}-1-hydroxy-4-methylpentylidene]amino}-1-oxo-3-phenylpropan-2-yl]hexanimidic acid6-Amino-N-{1-[(2-{[3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]amino}-1-hydroxy-4-methylpentylidene)amino]-1-oxo-3-phenylpropan-2-yl}hexanimidic acid
Database identifiers
- CAS
122280-12-0- PubChem CID
- 129691
- DTXSID
DTXSID50924126
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 834
Physicochemical properties
- Boiling point
- 877.108 · 877.108±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.151 · 1.151±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.132 · 12.132±0.20(predicted)
Chemistry & industry
Applications
DescriptionSQ 32970 is a potent inhibitor of Endothia aspartic proteinase.
UsesSQ 32970 is a tripeptidic renin inhibitor. SQ 32970 potently inhibits endothia protease[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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