Basic information
- CAS
290828-45-4- Standard SMILES
CN[C@H](CC(C)C)C(=O)NC(C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(N)=O)C(C)C- InChIKey
TUSUWHFYKZZRIG-HHCXXTPUSA-N- Molecular formula
- C36H54N6O5
- Average molar mass
- 650.9 g/mol
- Monoisotopic mass
- 650.41556884
Names & identifiers
- Preferred name
- 9,12-Dibenzyl-4,7,10,13-tetrahydroxy-3,15-bis(2-methylpropyl)-6-(propan-2-yl)-2,5,8,11,14-pentaazahexadeca-4,7,10,13-tetraen-16-imidic acid
- IUPAC
- (2R)-4-methyl-2-[[(2R)-2-[[(2R)-2-[[3-methyl-2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
- English name
- N-Methyl-D-leucyl-D-valyl-D-phenylalanyl-D-phenylalanyl-D-LeucinaMide
- Molecular formula
- C36H54N6O5
- Molecular weight
- 650.85116
Names & synonyms
DTXSID60951685(3R,9R,12R,15R)-9,12-Dibenzyl-4,7,10,13-tetrahydroxy-3,15-bis(2-methylpropyl)-6-(propan-2-yl)-2,5,8,11,14-pentaazahexadeca-4,7,10,13-tetraen-16-imidic acid9,12-Dibenzyl-4,7,10,13-tetrahydroxy-3,15-bis(2-methylpropyl)-6-(propan-2-yl)-2,5,8,11,14-pentaazahexadeca-4,7,10,13-tetraen-16-imidic acidPPI-1019ApanPPI1019PPI 1019N-Methyl-D-leucyl-D-valyl-D-phenylalanyl-D-phenylalanyl-D-LeucinaMide
Database identifiers
- CAS
290828-45-4- PubChem CID
- 44147342
- DTXSID
DTXSID60951685
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Sequence
- 2 · {Leu(Me)}-Val-Phe-Phe-Leu-NH2
- FDA UNII
- 2 F25P9Y22O · 2F25P9Y22O
Chemistry & industry
Applications
UsesPPI-1019 is an amyloid beta (Aβ) inhibitor. PPI-1019 can be used in the research of neurological diseases and Alzheimer's disease[1].
Suppliers6 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
江西辐氨生物技术有限公司15002819872 · [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]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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