Basic information
- CAS
119625-78-4- Standard SMILES
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C- InChIKey
UZQBKCWYZBHBOW-YIPNQBBMSA-N- Molecular formula
- C31H48N4O7S
- Average molar mass
- 620.8 g/mol
- Monoisotopic mass
- 620.32437106
Overview
Terlakiren is a peptide.
Names & identifiers
- Preferred name
- Terlakiren
- IUPAC
- propan-2-yl (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(2R)-3-methylsulfanyl-2-[[(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoyl]amino]butanoate
- English name
- Terlakiren
- Molecular formula
- C31H48N4O7S
- Molecular weight
- 620.8
Names & synonyms
Terlakiren119625-78-4cp-80,794TerlakireneTerlakirenoE5H9IP637WDTXSID00152533CP 80,794terlakirenumRefChem:932737DTXCID5075024isopropyl N-(N-(4-morpholinocarbonyl)phenylalanyl-S-methylcysteinyl)-2-hydroxy-3-amino-4-cyclohexylbutanoate
Show more names
L-Cysteinamide, N-(4-morpholinylcarbonyl)-L-phenylalanyl-N-[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-(2R,3S)-4-Cyclohexyl-2-hydroxy-3-[(R)-3-methylthio-2-[(S)-2-(4-morpholinylcarbonylamino)-3-phenylpropanoylamino]propanoylamino]butyric acid isopropyl esterISOPROPYL (2R,3S)-4-CYCLOHEXYL-2-HYDROXY-3-[[(2R)-3-(METHYLSULFANYL)-2-([(2S)-2-[(4-MORPHOLINYLCARBONYL)AMINO]-3-PHENYLPROPANOYL]AMINO)PROPANOYL]AMINO]BUTANOATE
propan-2-yl (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(2R)-3-methylsulfanyl-2-[[(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoyl]amino]butanoateCP 80794CP-80794CHEMBL60550N-(Morpholin-4-Ylcarbonyl)-L-Phenylalanyl-N-[(1r,2s)-1-(Cyclohexylmethyl)-2-Hydroxy-3-(1-Methylethoxy)-3-Oxopropyl]-S-Methyl-L-CysteinamideTerlakiren (USAN/INN)Terlakiren [USAN:INN]UNII-E5H9IP637W
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 889
Physicochemical properties
- Boiling point
- 908.263 · 908.263±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.439 · 12.439±0.20(predicted)
- FDA UNII
- 5 H9IP637W · E5H9IP637W
Chemistry & industry
Applications
UsesTerlakiren (CP-80,794) is an orally active inhibitor of renin. Terlakiren inhibits the efficacy of human renin with an IC50 value of 0.7 nM. Terlakiren has potential applications in hypertension[1].
Suppliers5 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: Terlakiren is a peptide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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