Basic information
- CAS
94162-23-9- Standard SMILES
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@](C)(N)CC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O- InChIKey
SZMATORSVSGBIL-UHFFFAOYSA-N- Molecular formula
- C54H77N13O9
- Average molar mass
- 1,052.3 g/mol
Names & identifiers
- Preferred name
- Renin inhibitory peptide, statine
- IUPAC
- (2S)-1-[(2S)-2-[[(2R)-2-amino-2-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S,3S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
- English name
- renin inhibitory peptide, statine
- Molecular formula
- C54H77N13O9
- Molecular weight
- 1052.27
Names & synonyms
Renin inhibitory peptide, statineSCRIP94162-23-9Isovaleryl-histidyl-prolyl-phenylalanyl-histidyl-statine-leucyl-phenylalanineL-Phenylalaninamide, N-(3-hydroxy-4-((N-(N-(1-(N-L-isovalyl-L-histidyl)-L-prolyl)-L-phenylalanyl)-L-histidyl)amino)-6-methyl-1-oxoheptyl)-L-isoleucyl-, (S-(R*,R*))-RefChem:178861(2S)-1-[(2S)-2-[[(2R)-2-amino-2-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S,3S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide(S)-N-((S)-1-(((S)-1-(((3S,4S)-1-(((2S,3S)-1-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-hydroxy-6-methyl-1-oxoheptan-4-yl)amino)-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)-1-(((R)-2-amino-2-methylbutanoyl)-L-histidyl)pyrrolidine-2-carboxamideL-Phenylalaninamide, L-isovalyl-L-histidyl-L-prolyl-L-phenylalanyl-L-histidyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-L-isoleucyl- (9CI)
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 342 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 29
- Heavy atoms
- 76
- Formal charge
- 0
- Complexity
- 1,940
Physicochemical properties
- Boiling point
- 1469.593 · 1469.593±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.413 · 13.413±0.20(predicted)
Chemistry & industry
Applications
DescriptionRenin inhibitory peptide, statine is a potent, specific statine -containing renin inhibitor.
Suppliers5 total
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
南京莱昂生物科技有限公司025-84523390 -127; 17705183659 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
ANHUI BYERSEN BIOTECH CO. LTD+86-15385096007 +86-17755058861 · [email protected]
南京肽研生物科技有限公司19961912513; 19941518170 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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