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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| PPAAAAA | [3S-(3α,5α,9β,11aβ)]-5-acetyloctahydro-7-oxo-3,6-Methano-1H,3H-pyrrolo[2,1-c][1,4,7]thiadiazonine-9-carboxylic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01637 |
| Smiles | |
| Inchi Key | InChIKey=CJYKSAWTFUDVJP-UHFFFAOYNA-N |
| Molecular weight | 666.316 |
| Molecular formula | C29H46N8O8S |
| Chemical name | Peptide information |
| Sequence (one letter) | PPAAAAA |
| Length | 7 |
| Peptide name | diprolyl-oligoalanin |
| External ID | |
|---|---|
| CAS number | 136088-78-3 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | Conformational analysis |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | no |
| Small molecule | [3S-(3α,5α,9β,11aβ)]-5-acetyloctahydro-7-oxo-3,6-Methano-1H,3H-pyrrolo[2,1-c][1,4,7]thiadiazonine-9-carboxylic acid |
| Small molecule CAS | 120980-87-2 |
| Structure method | 1H-NMR, HPLC |
| NMR solvent | CD3OD, CD3CN |
| Calculated properties | |
|---|---|
| LogP | -4.07941 |
| Rotatable bonds | 11 |
| H bond donor | 6 |
| H bond acceptor | 8 |
| Polar surface area (PSA) | 215.22000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Studies of N-terminal templates for α-helix formation. Synthesis and conformational analysis of peptide conjugates of (2S,5S,8S,11S)-1-acetyl-1,4-diaza-3-keto-5-carboxy-10-thiatricyclo[2.8.1.04,8]tridecane (Ac-Hel1-OH) | 1991 | Kemp, D. S.; Curran, Timothy P.; Boyd, James G.; Allen, Thomas J. | Journal of Organic Chemistry | ||
