Description
A synthetic heptapeptide derived from a fragment of ACTH(4-10), studied in neuropharmacology research literature for nootropic and neuroprotective activity in preclinical models.
Supplied for laboratory research or business use only. Not for human or veterinary consumption, not for personal use. A Certificate of Analysis is available on request for each lot.
Properties
| Molecular Formula | C37H51N9O10S |
| Molecular Weight | 813.9 g/mol |
| Monoisotopic Mass | 813.34796003 |
| Polar Surface Area | 312 Ų |
| Complexity | 1450 |
| XLogP | -2.8 |
| Heavy Atom Count | 57 |
| H-Bond Donor Count | 8 |
| H-Bond Acceptor Count | 13 |
| Rotatable Bond Count | 21 |
| Physical Appearance | Fine white to off-white lyophilized powder. |
| Stability | Lyophilized peptide should be stored at -20°C. Once reconstituted, store at 2-8°C and avoid repeated freeze-thaw cycles. |
Identifiers
| PubChem CID | 9811102 |
| CAS Number | 80714-61-0 |
Structure and identifiers sourced from PubChem (CID 9811102).
Advanced Identifiers
| InChI | InChI=1S/C37H51N9O10S/c1-57-16-13-24(38)32(50)42-25(11-12-31(48)49)33(51)43-26(18-23-19-39-21-41-23)34(52)44-27(17-22-7-3-2-4-8-22)36(54)46-15-5-9-28(46)35(53)40-20-30(47)45-14-6-10-29(45)37(55)56/h2-4,7-8,19,21,24-29H,5-6,9-18,20,38H2,1H3,(H,39,41)(H,40,53)(H,42,50)(H,43,51)(H,44,52)(H,48,49)(H,55,56)/t24-,25-,26-,27-,28-,29-/m0/s1 |
| InChIKey | AFEHBIGDWIGTEH-AQRCPPRCSA-N |
| Isomeric SMILES | CSCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)NCC(=O)N4CCC[C@H]4C(=O)O)N |
| Canonical SMILES | CSCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)NCC(=O)N4CCCC4C(=O)O)N |
| IUPAC Name | (2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid |
