TL;DR: amogastrin (CAS 16870-37-4) is a chemical compound with molecular formula C35H46N6O8S and molecular weight 710.30975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-(2-methylbutan-2-yloxycarbonylamino)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Also Known As: amogastrin, Amogastrina, Amogastrine, Amogastrinum, AOC-tetragastrin
| Molecular Formula | C35H46N6O8S |
| Molecular Weight | 710.30975 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 247.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 710.30975 Da |
| Heavy Atoms | 50 |
| Complexity | 1180.0 |
| SMILES | CCC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N |
| InChIKey | CAVZBWFUMSXZFB-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for amogastrin. The TPSA of 247.0 Ų indicates high polarity, suggesting amogastrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, amogastrin has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of amogastrin is 16870-37-4.
The molecular formula of amogastrin is C35H46N6O8S.
The molecular weight of amogastrin is 710.30975 g/mol.
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