TL;DR: CTOP (CAS 103429-31-8) is a chemical compound with molecular formula C50H67N11O11S2 and molecular weight 1061.4463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-phenylpropanoyl)amino]-10-(3-aminopropyl)-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Also Known As: CTOP, CTOPA, Ctop-NH2, FCYWXTXT, CTOP TFA
| Molecular Formula | C50H67N11O11S2 |
| Molecular Weight | 1061.4463 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 426.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Exact Mass | 1061.4463 Da |
| Heavy Atoms | 74 |
| Complexity | 1930.0 |
| SMILES | CC(C1C(=O)NC(C(SSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)(C)C)C(=O)NC(C(C)O)C(=O)N)O |
| InChIKey | PZWWYAHWHHNCHO-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTOP. The TPSA of 426.0 Ų indicates high polarity, suggesting CTOP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTOP has 14 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CTOP is 103429-31-8.
The molecular formula of CTOP is C50H67N11O11S2.
The molecular weight of CTOP is 1061.4463 g/mol.
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