Basic information
- CAS
103122-78-7- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC1C=NC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1C=NC=N1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)CC(O)[C@@H](N)CC(C)C- InChIKey
UZQQQLZPTWPHOV-UEQVVWSXSA-N- Molecular formula
- C54H75N13O9
- Average molar mass
- 1,050.3 g/mol
- Monoisotopic mass
- 1,049.58107102
Overview
a potent renin inhibitor, decreased plasma angiotensin II & blood pressure in normal volunteers
Names & identifiers
- Preferred name
- Renin inhibitory peptide, R-pep-27
- IUPAC
- (2S)-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(4S)-4-amino-3-hydroxy-6-methylheptanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-3-(4H-imidazol-4-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
- English name
- renin inhibitory peptide, R-PEP-27
- Molecular formula
- C54H75N13O9
- Molecular weight
- 1050.28
Names & synonyms
Prolyl-histidyl-prolyl-phenylalanyl-histidyl-statine-isoleucyl-phenylalaninamidePro-his-pro-phe-his-statine-ile-phe-NH2R-PEP-27Renin inhibitory peptide, R-pep-27RefChem:178860103122-78-7(2S)-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(4S)-4-amino-3-hydroxy-6-methylheptanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-3-(4H-imidazol-4-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide(S-(R*,R*))-N-(3-Hydroxy-6-methyl-1-oxo-4-((N-(N-(1-(N-L-prolyl-L-histidyl)-L-prolyl)-L-phenylalanyl)-L-histidyl)amino)heptyl)-L-isoleucyl-L-phenylalaninamideL-Phenylalaninamide, N-(3-hydroxy-6-methyl-1-oxo-4-((N-(N-(1-(N-L-prolyl-L-histidyl)-L-prolyl)-L-phenylalanyl)-L-histidyl)amino)heptyl)-L-isoleucyl-, (S-(R*,R*))-R-PEP 27L-Phenylalaninamide, L-prolyl-L-histidyl-L-prolyl-L-phenylalanyl-L-histidyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-L-isoleucyl- (9CI)
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 320 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 27
- Heavy atoms
- 76
- Formal charge
- 0
- Complexity
- 2,120
Physicochemical properties
- Boiling point
- 1489.6 · 1489.6±65.0 °C(Predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- pka
- 13.41 · 13.41±0.20(Predicted)
Chemistry & industry
Applications
DescriptionR-PEP 27 is a potent renin inhibitor, decreased plasma angiotensin II & blood pressure in normal volunteers.
UsesR-PEP-27 is an active compound.
Suppliers7 total
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [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]
南京美韬医药科技有限公司[email protected] · [email protected]
江西研肽生物医药科技有限公司13758194781; 13758194781 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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